Geometry & MOs

Info

ID:	79817
PubChem CID:	49830579
Reduced:	N3O7C35H37 (1)
Stoich.:	A3B7C35D37 (1)
Weight, g/mol:	302.105528
ΔH_f, kcal/mol:	-190.23
Dipole, Da:	4.62
IP(EA), eV:	-8.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-hydroxyphenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)CCOC5=CC=C(C=C5)N6CCOCC6)OCC(CO)O

DOS

IR

Vibrations