Geometry & MOs

Info

ID:	335995
PubChem CID:	127255002
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	38.38
Dipole, Da:	5.31
IP(EA), eV:	-7.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-methyl-4-oxo-4-(3-oxopiperazin-1-yl)butanamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)COC3=CC=CC=C3N4C=NN=C4

DOS

IR

Vibrations