Geometry & MOs

Info

ID:	23148
PubChem CID:	602433
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	25.25
Dipole, Da:	0.49
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dihydroxy-6-methyl-6H-benzo[d][1,3]benzodiazepine

Drug info:

PubChemData

Smile

CC1N(C2=CC=CC=C2C3=CC=CC=C3N1O)O

DOS

IR

Vibrations