Geometry & MOs

Info

ID:	139608
PubChem CID:	52570501
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-158.03
Dipole, Da:	5.47
IP(EA), eV:	-9.29(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@@H](C2=CC=CC=C2C)NC(=O)N

DOS

IR

Vibrations