Geometry & MOs

Info

ID:

79816

PubChem CID:

49830577

Reduced:

N2O2H16C17 (2)

Stoich.:

A2B2C16D17 (2)

Weight, g/mol:

611.263151

ΔHf, kcal/mol:

-23.76

Dipole, Da:

3.75

IP(EA), eV:

 -8.16(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-(2,3-dihydroxypropoxy)-3-methoxyphenyl]-3-[2-(4-morpholin-4-ylphenoxy)ethyl]-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)CC#N

DOS

IR

Vibrations