Geometry & MOs

Info

ID:	398299
PubChem CID:	135032703
Reduced:	N3O4C27H27 (1)
Stoich.:	A3B4C27D27 (1)
Weight, g/mol:	521.09502
ΔH_f, kcal/mol:	-24.3
Dipole, Da:	2.6
IP(EA), eV:	-8.24(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromophenyl)-3-[4-(2,5-dimethoxyphenyl)triazol-2-yl]-1-(4-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CC(=O)C2=CC=C(C=C2)OC)N3N=CC(=N3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations