Geometry & MOs

Info

ID:	75872
PubChem CID:	48424093
Reduced:	O2N3C16H31 (1)
Stoich.:	A2B3C16D31 (1)
Weight, g/mol:	390.263091
ΔH_f, kcal/mol:	-91.0
Dipole, Da:	2.91
IP(EA), eV:	-8.36(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CNC(=O)C(C)OCC1CC1)CN2CCN(CC2)C

DOS

IR

Vibrations