Geometry & MOs

Info

ID:	363271
PubChem CID:	127310412
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	-36.28
Dipole, Da:	6.21
IP(EA), eV:	-9.0(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azetidine-1-carbonyl)-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2C1NC(=O)N3CCOC(C3)CN4C=C(C=N4)C

DOS

IR

Vibrations