Geometry & MOs

Info

ID:	440796
PubChem CID:	135231492
Reduced:	O2F3N7C24H26 (1)
Stoich.:	A2B3C7D24E26 (1)
Weight, g/mol:	403.144453
ΔH_f, kcal/mol:	-115.15
Dipole, Da:	1.82
IP(EA), eV:	-8.4(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-amino-2-(6-amino-3-ethynyl-8-methoxy-4H-imidazo[1,5-a][1,5]benzodiazepin-5-ylidene)-1-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC(=NCC1=CC(=NC=C1)N2CCN(CC2)C)N=C(C3=NC=C(O3)C4=CC=C(C=C4)OC(F)(F)F)N

DOS

IR

Vibrations