Geometry & MOs

Info

ID:	361200
PubChem CID:	127302155
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-31.71
Dipole, Da:	6.97
IP(EA), eV:	-8.74(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(1-morpholin-4-ylpropan-2-yl)-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCNC(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations