Geometry & MOs

Info

ID:	56039
PubChem CID:	17403883
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	349.049715
ΔH_f, kcal/mol:	-97.16
Dipole, Da:	7.87
IP(EA), eV:	-8.43(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dichlorophenyl)methyl]-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCNC(=O)CSC2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations