Geometry & MOs

Info

ID:	151712
PubChem CID:	56269893
Reduced:	F2N3O3C23H29 (1)
Stoich.:	A2B3C3D23E29 (1)
Weight, g/mol:	415.157516
ΔH_f, kcal/mol:	-234.93
Dipole, Da:	2.21
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC2=CC=CC=C2C=C1C(=O)NC3CCN(CC3)CC(F)F

DOS

IR

Vibrations