Geometry & MOs

Info

ID:	180133
PubChem CID:	76582969
Reduced:	OCl2N5C23H25 (1)
Stoich.:	AB2C5D23E25 (1)
Weight, g/mol:	486.133779
ΔH_f, kcal/mol:	5.39
Dipole, Da:	8.36
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-[4-[(4-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)N2CCCC2C3=NN=C(N3CC4=CC=C(C=C4)Cl)C)C)Cl

DOS

IR

Vibrations