Geometry & MOs

Info

ID:	76329
PubChem CID:	48424787
Reduced:	NSO2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	413.195071
ΔH_f, kcal/mol:	-72.0
Dipole, Da:	4.19
IP(EA), eV:	-8.65(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN(C(C)C)C(=O)C(C)OCC2CC2

DOS

IR

Vibrations