Geometry & MOs

Info

ID:	76316
PubChem CID:	48424774
Reduced:	O3N4C22H34 (1)
Stoich.:	A3B4C22D34 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-124.08
Dipole, Da:	2.38
IP(EA), eV:	-8.32(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[3-[(4-methylpiperazin-1-yl)methyl]anilino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations