Geometry & MOs

Info

ID:	269478
PubChem CID:	103617674
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	400.10116
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	4.73
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-iodo-3-methylphenyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CCN1CCN(CC1)C(=O)C2=CC(=O)N(C=C2)C

DOS

IR

Vibrations