Geometry & MOs

Info

ID:	343592
PubChem CID:	127266768
Reduced:	N3O4C15H15 (1)
Stoich.:	A3B4C15D15 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-61.61
Dipole, Da:	8.66
IP(EA), eV:	-9.09(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)CC(CO2)NC3=C(C(=O)NC=C3)[N+](=O)[O-]

DOS

IR

Vibrations