Geometry & MOs

Info

ID:	370565
PubChem CID:	127339700
Reduced:	OCl2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	337.165108
ΔH_f, kcal/mol:	17.61
Dipole, Da:	4.59
IP(EA), eV:	-8.95(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4Cl)Cl

DOS

IR

Vibrations