Geometry & MOs

Info

ID:	300080
PubChem CID:	119526702
Reduced:	ClO3N4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	390.17102
ΔH_f, kcal/mol:	-146.52
Dipole, Da:	2.34
IP(EA), eV:	-9.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)CN2C=CC(=O)N(C2=O)C)N.Cl

DOS

IR

Vibrations