Geometry & MOs

Info

ID:	70964
PubChem CID:	48414109
Reduced:	ClO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	-55.8
Dipole, Da:	3.11
IP(EA), eV:	-8.87(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations