Geometry & MOs

Info

ID:	31126
PubChem CID:	854685
Reduced:	ON5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	323.120467
ΔH_f, kcal/mol:	81.72
Dipole, Da:	5.64
IP(EA), eV:	-8.22(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)[C@H]2C=C(NC3=NC=NN23)C4=CC=C(C=C4)OC

DOS

IR

Vibrations