Geometry & MOs

Info

ID:

445116

PubChem CID:

135264562

Reduced:

O3N4C41H46 (1)

Stoich.:

A3B4C41D46 (1)

Weight, g/mol:

547.315855

ΔHf, kcal/mol:

-20.19

Dipole, Da:

4.75

IP(EA), eV:

 -8.91(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[4-[5-[4-(4-butyl-2-oxopiperidin-1-yl)piperidin-1-yl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C2=CC=C(C=C2)C3=CN=C(N=C3)C4=CC=C(C=C4)C[C@@H](C(=O)N5CC(C5)CO)NC(=O)C6=CC=C(C=C6)C7CC7

DOS

IR

Vibrations