Geometry & MOs

Info

ID:	356472
PubChem CID:	127291576
Reduced:	ON4C22H34 (1)
Stoich.:	AB4C22D34 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-65.63
Dipole, Da:	3.46
IP(EA), eV:	-8.6(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C)CCN(C2)CC(=O)NC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations