Geometry & MOs

Info

ID:	175178
PubChem CID:	75864339
Reduced:	Cl2N3O3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	373.144471
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	3.6
IP(EA), eV:	-8.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-methyl-2-phenylpentanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)NC2=CC3=C(C=C2Cl)OCCCO3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations