Geometry & MOs

Info

ID:	422177
PubChem CID:	135117345
Reduced:	O3N5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-109.41
Dipole, Da:	1.68
IP(EA), eV:	-8.54(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)NCCC(=O)O

DOS

IR

Vibrations