Geometry & MOs

Info

ID:	300107
PubChem CID:	119526845
Reduced:	OCl2N2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	422.127631
ΔH_f, kcal/mol:	-30.35
Dipole, Da:	4.27
IP(EA), eV:	-9.07(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(C=CC=C2Cl)Cl)N

DOS

IR

Vibrations