Geometry & MOs

Info

ID:	206479
PubChem CID:	80256791
Reduced:	NO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	279.138992
ΔH_f, kcal/mol:	-88.26
Dipole, Da:	1.24
IP(EA), eV:	-8.26(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)CC1(CCCC1)C(C2=C(C=CC(=C2)OC)OC)N

DOS

IR

Vibrations