Geometry & MOs

Info

ID:	196731
PubChem CID:	78871022
Reduced:	ON4C16H30 (1)
Stoich.:	AB4C16D30 (1)
Weight, g/mol:	416.315127
ΔH_f, kcal/mol:	-45.73
Dipole, Da:	4.96
IP(EA), eV:	-8.4(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC(=NN1)C(=O)NCC(CC(C)C)N(CC)CC

DOS

IR

Vibrations