Geometry & MOs

Info

ID:	233691
PubChem CID:	92092882
Reduced:	ClO2N4H17C22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	429.18009
ΔH_f, kcal/mol:	58.43
Dipole, Da:	3.72
IP(EA), eV:	-9.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethoxyphenyl)-2-methyl-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=C(N=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations