Geometry & MOs

Info

ID:	173075
PubChem CID:	75593199
Reduced:	O3N5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	440.133921
ΔH_f, kcal/mol:	17.82
Dipole, Da:	6.44
IP(EA), eV:	-9.08(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(CC(C1C2=CC3=C(C=C2)OCO3)O)C4=NN=NN4C5=CC=CC=C5

DOS

IR

Vibrations