Geometry & MOs

Info

ID:	143429
PubChem CID:	53207721
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	412.222289
ΔH_f, kcal/mol:	-120.14
Dipole, Da:	6.13
IP(EA), eV:	-9.38(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxyphenyl)methylamino]-5-[(4-methylpiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CCCN2C(=O)NCC(=O)OC

DOS

IR

Vibrations