Geometry & MOs

Info

ID:	265607
PubChem CID:	103533027
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-99.04
Dipole, Da:	4.1
IP(EA), eV:	-9.1(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1(CCNCC1)C(=O)N2CCC(C2)OC

DOS

IR

Vibrations