Geometry & MOs

Info

ID:	326258
PubChem CID:	126687244
Reduced:	N2O2C23H30 (1)
Stoich.:	A2B2C23D30 (1)
Weight, g/mol:	367.214744
ΔH_f, kcal/mol:	-75.39
Dipole, Da:	5.8
IP(EA), eV:	-8.35(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4S)-3-(hydroxymethyl)-4-(3-phenylpropyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)N2C[C@H]([C@H](C2)CO)CCCC3=CC=CC=C3)C

DOS

IR

Vibrations