Geometry & MOs

Info

ID:	303491
PubChem CID:	124489813
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	238.110613
ΔH_f, kcal/mol:	-60.21
Dipole, Da:	4.6
IP(EA), eV:	-9.56(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-cyclohex-2-en-1-yl]-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C\C[C@H](CC(=O)O)N

DOS

IR

Vibrations