Geometry & MOs

Info

ID:	303750
PubChem CID:	124490130
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-37.34
Dipole, Da:	1.99
IP(EA), eV:	-8.62(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-phenyl-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC(C)N1CC[C@@H](C1)[C@@H](C2=CC=CC=C2)O

DOS

IR

Vibrations