Geometry & MOs

Info

ID:	422423
PubChem CID:	135117813
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-50.68
Dipole, Da:	5.39
IP(EA), eV:	-9.36(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-2-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=NC2=CC=CC=C2N=C1CCC(=O)N[C@@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations