Geometry & MOs

Info

ID:	431139
PubChem CID:	135171209
Reduced:	N3C38H49 (1)
Stoich.:	A3B38C49 (1)
Weight, g/mol:	477.108245
ΔH_f, kcal/mol:	35.98
Dipole, Da:	4.9
IP(EA), eV:	-7.95(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-ethylsulfonyl-3-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=CC(=C1)CCC2=CC(=CC(=C2)N3C=CC=C3)C(C)CC4=CC(=CC(=C4)N5CCCC5)C(C)C

DOS

IR

Vibrations