Geometry & MOs

Info

ID:	418713
PubChem CID:	135106634
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-103.25
Dipole, Da:	4.92
IP(EA), eV:	-9.01(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)CCC3=NC4=CC=CC=C4N=C3OC)O

DOS

IR

Vibrations