Geometry & MOs

Info

ID:	361211
PubChem CID:	127302166
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-44.31
Dipole, Da:	3.22
IP(EA), eV:	-9.07(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations