Geometry & MOs

Info

ID:	254140
PubChem CID:	103123017
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	281.185175
ΔH_f, kcal/mol:	-3.35
Dipole, Da:	4.43
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(dimethylamino)propyl]-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1Cl)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations