Geometry & MOs

Info

ID:	143393
PubChem CID:	53202798
Reduced:	FON6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	410.206639
ΔH_f, kcal/mol:	-3.04
Dipole, Da:	8.15
IP(EA), eV:	-8.83(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)-[4-(5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCC1=CC(=NC2=NN=C(N12)C)N3CCN(CC3)C(=O)CC4=CC(=CC=C4)F

DOS

IR

Vibrations