Geometry & MOs

Info

ID:	445811
PubChem CID:	135269638
Reduced:	N3C25H31 (1)
Stoich.:	A3B25C31 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	61.24
Dipole, Da:	3.91
IP(EA), eV:	-8.65(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2,6-dimethyl-4-[(3-pyrrol-1-ylphenyl)methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC(=CC=C2)N3C=CC=C3)C)CC4=CC=C(C=C4)C

DOS

IR

Vibrations