Geometry & MOs

Info

ID:	362390
PubChem CID:	127307735
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-69.67
Dipole, Da:	7.12
IP(EA), eV:	-8.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-benzyl-3,3-dimethylpiperazine-1-carbonyl)-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CC(C(C)N1CCOCC1)NC(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations