Geometry & MOs

Info

ID:	435595
PubChem CID:	135191890
Reduced:	ON3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	300.133474
ΔH_f, kcal/mol:	6.14
Dipole, Da:	2.99
IP(EA), eV:	-9.2(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-cyanoethyl)-N-hydrazinylidene-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-carboximidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C/C(=C/C(=N)C(=O)N)/N

DOS

IR

Vibrations