Geometry & MOs

Info

ID:	218828
PubChem CID:	85090037
Reduced:	NO7H29C30 (1)
Stoich.:	AB7C29D30 (1)
Weight, g/mol:	513.189986
ΔH_f, kcal/mol:	-201.06
Dipole, Da:	8.05
IP(EA), eV:	-8.98(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[9-(4-hydroxy-3-methoxyphenyl)-6-oxobenzo[b][1,4]benzodiazepine-3-carbonyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(C(C3N2C(C(OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)C(=O)OC

DOS

IR

Vibrations