Geometry & MOs

Info

ID:	157814
PubChem CID:	56437445
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	426.109483
ΔH_f, kcal/mol:	-129.64
Dipole, Da:	8.31
IP(EA), eV:	-8.91(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-[cyano-(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C#N)NC(=O)C2=CC=C(C=C2)OC3CCCC3

DOS

IR

Vibrations