Geometry & MOs

Info

ID:	309788
PubChem CID:	126558875
Reduced:	N6C21H32 (1)
Stoich.:	A6B21C32 (1)
Weight, g/mol:	156.137497
ΔH_f, kcal/mol:	40.19
Dipole, Da:	5.28
IP(EA), eV:	-8.75(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2,5-dimethyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[1,5-c]pyrimidine

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C2=NC(=NC=C2)NC3CCC(CC3)N)CC4CCC4

DOS

IR

Vibrations