Geometry & MOs

Info

ID:	362417
PubChem CID:	127307762
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-123.8
Dipole, Da:	7.83
IP(EA), eV:	-9.25(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-N-(oxan-3-ylmethyl)-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC(=O)N1CCN(CC1)C(=O)C)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations