Geometry & MOs

Info

ID:	150926
PubChem CID:	53790623
Reduced:	N2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	419.103669
ΔH_f, kcal/mol:	12.93
Dipole, Da:	0.36
IP(EA), eV:	-8.75(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N'-(3-phenylprop-2-enoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide

Drug info:

PubChemData

Smile

CCNCCN(CC)CC1=CC=CC=C1

DOS

IR

Vibrations