Geometry & MOs

Info

ID:	88800
PubChem CID:	49956875
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-91.89
Dipole, Da:	3.68
IP(EA), eV:	-8.73(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butan-2-yloxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C)OC3=CC=C(C=C3)C

DOS

IR

Vibrations