Geometry & MOs

Info

ID:	361232
PubChem CID:	127302187
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-91.15
Dipole, Da:	8.41
IP(EA), eV:	-9.22(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC(CC1)NC(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations