Geometry & MOs

Info

ID:	420662
PubChem CID:	135114626
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-74.75
Dipole, Da:	5.78
IP(EA), eV:	-9.1(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl(methyl)amino]-1-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=CN1CC(=O)N2CC[C@]3(CCCN[C@@H]3C2)CO

DOS

IR

Vibrations