Geometry & MOs

Info

ID:	340848
PubChem CID:	127263283
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	404.18667
ΔH_f, kcal/mol:	-53.54
Dipole, Da:	4.47
IP(EA), eV:	-8.72(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-2-yl]-N-methylcarbamate;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CC1O)NCC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations