Geometry & MOs

Info

ID:	28630
PubChem CID:	828691
Reduced:	N2O3C17H28 (1)
Stoich.:	A2B3C17D28 (1)
Weight, g/mol:	334.038816
ΔH_f, kcal/mol:	-101.48
Dipole, Da:	2.53
IP(EA), eV:	-8.18(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,7S)-5-(3,4-dichlorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)CC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations