Geometry & MOs

Info

ID:	300061
PubChem CID:	119526638
Reduced:	ClO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-33.81
Dipole, Da:	6.31
IP(EA), eV:	-9.29(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=NNC(=C2)C3=CC=CO3)N.Cl

DOS

IR

Vibrations