Geometry & MOs

Info

ID:	75522
PubChem CID:	48423597
Reduced:	NO4C21H33 (1)
Stoich.:	AB4C21D33 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-155.72
Dipole, Da:	3.75
IP(EA), eV:	-8.16(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC1=CC(=C(C=C1)OCCC)OC)C(=O)C(C)OCC2CC2

DOS

IR

Vibrations