Geometry & MOs

Info

ID:	189738
PubChem CID:	77897943
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	0.8
Dipole, Da:	2.45
IP(EA), eV:	-9.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)propyl]-N-methyl-2-(4-methylphenyl)-4-oxo-1,3-diazinane-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2=CC=CC(=C2)CN3C=CC=N3

DOS

IR

Vibrations