Geometry & MOs

Info

ID:	361195
PubChem CID:	127302139
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	1.24
Dipole, Da:	8.01
IP(EA), eV:	-8.79(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[4-(1-methyl-4-oxocinnoline-3-carbonyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=NN(C4=CC=CC=C4C3=O)C)C

DOS

IR

Vibrations