Geometry & MOs

Info

ID:	300100
PubChem CID:	119526812
Reduced:	ClO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-43.86
Dipole, Da:	9.15
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=NN(C=C2)C3=CC=C(C=C3)OC)N.Cl

DOS

IR

Vibrations