Geometry & MOs

Info

ID:	300060
PubChem CID:	119526636
Reduced:	ClN2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	374.150954
ΔH_f, kcal/mol:	-102.87
Dipole, Da:	5.51
IP(EA), eV:	-9.46(-0.21)
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;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)NCC(C2=CC=C(C=C2)C(C)C)N.Cl

DOS

IR

Vibrations