Geometry & MOs

Info

ID:	262761
PubChem CID:	103314903
Reduced:	N3C11H19 (1)
Stoich.:	A3B11C19 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	24.39
Dipole, Da:	2.63
IP(EA), eV:	-8.21(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(3-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=CNN2C1=NCCC2C(C)(C)C

DOS

IR

Vibrations