Geometry & MOs

Info

ID:	76149
PubChem CID:	48424507
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-170.12
Dipole, Da:	2.64
IP(EA), eV:	-9.35(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(4-methylpentanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations