Geometry & MOs

Info

ID:	406174
PubChem CID:	135076744
Reduced:	OC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	562.16312
ΔH_f, kcal/mol:	-0.77
Dipole, Da:	1.94
IP(EA), eV:	-8.64(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-bromo-5-ethyl-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)-3-fluorobenzoate

Drug info:

PubChemData

Smile

CC(CC#CC1=CC=C(C=C1)OC)(C2=CC=CC=C2)O

DOS

IR

Vibrations