Geometry & MOs

Info

ID:	300062
PubChem CID:	119526639
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	332.142219
ΔH_f, kcal/mol:	-2.04
Dipole, Da:	4.45
IP(EA), eV:	-8.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pent-4-enamide;dihydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations