Geometry & MOs

Info

ID:	421641
PubChem CID:	135116336
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-80.14
Dipole, Da:	3.54
IP(EA), eV:	-8.63(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]pyridin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CC[C@]3(CCCN([C@@H]3C2)C)CO)OC

DOS

IR

Vibrations