Geometry & MOs

Info

ID:	379379
PubChem CID:	134419237
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	534.320606
ΔH_f, kcal/mol:	-40.26
Dipole, Da:	2.6
IP(EA), eV:	-8.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[8-(2,7-dimethylcarbazol-9-yl)octyl]-1,2-dihydrotriazol-5-yl]methoxy]-2,3-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C1N)OC3=C(C2=O)C=C(C=C3)C(C)C

DOS

IR

Vibrations