Geometry & MOs

Info

ID:	361226
PubChem CID:	127302181
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	369.125946
ΔH_f, kcal/mol:	-11.87
Dipole, Da:	7.23
IP(EA), eV:	-8.74(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2CCCN2C(=O)C3=NN(C4=CC=CC=C4C3=O)C)C

DOS

IR

Vibrations