Geometry & MOs

Info

ID:	75227
PubChem CID:	48423196
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	404.242356
ΔH_f, kcal/mol:	-106.96
Dipole, Da:	2.39
IP(EA), eV:	-9.32(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CNC(=O)C(CC1=CC=CC=C1)NC(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations