Geometry & MOs

Info

ID:	31085
PubChem CID:	854424
Reduced:	NCl2O2H11C16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	331.179696
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	0.62
IP(EA), eV:	-8.83(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[(7R)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]aniline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)C

DOS

IR

Vibrations