Geometry & MOs

Info

ID:	189471
PubChem CID:	77861829
Reduced:	ClOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	2.89
IP(EA), eV:	-8.65(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-aminoethyl)phenyl]-(2-methylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC(C)CC1=CC(=C(C=C1)OC)Cl

DOS

IR

Vibrations