Geometry & MOs

Info

ID:	76133
PubChem CID:	48424488
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	-102.36
Dipole, Da:	2.05
IP(EA), eV:	-8.16(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C)OCC2CC2)OC

DOS

IR

Vibrations