Geometry & MOs

Info

ID:	417317
PubChem CID:	135092036
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	381.191323
ΔH_f, kcal/mol:	-127.85
Dipole, Da:	4.53
IP(EA), eV:	-9.25(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC(CC1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations