Geometry & MOs

Info

ID:	184421
PubChem CID:	77159658
Reduced:	O2N3H25C29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	25.42
Dipole, Da:	4.74
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-ethyl-1-phenylhexan-3-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)O)(CC2=CC=CC=C2)C3=CN4C=CC=C(C4=N3)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations