Geometry & MOs

Info

ID:	124291
PubChem CID:	50877078
Reduced:	ClN3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	18.76
Dipole, Da:	5.19
IP(EA), eV:	-8.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxyethyl)-4-methyl-1,5-dihydro-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CCC(C)N1C2=C(C=C(C=C2)Cl)N=C1CN

DOS

IR

Vibrations