Geometry & MOs

Info

ID:	328706
PubChem CID:	126726662
Reduced:	N4C5H10 (1)
Stoich.:	A4B5C10 (1)
Weight, g/mol:	367.168462
ΔH_f, kcal/mol:	32.58
Dipole, Da:	2.66
IP(EA), eV:	-8.51(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-aminoethyl]-8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenyl-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CCC1=C(NN=C1N)N

DOS

IR

Vibrations