Geometry & MOs

Info

ID:	300085
PubChem CID:	119526715
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	424.202989
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	4.92
IP(EA), eV:	-9.04(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)CN2CCCCC2=O)N

DOS

IR

Vibrations