Geometry & MOs

Info

ID:	31125
PubChem CID:	854680
Reduced:	ClON2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	347.17461
ΔH_f, kcal/mol:	23.23
Dipole, Da:	1.72
IP(EA), eV:	-8.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7R)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)OC

DOS

IR

Vibrations