Geometry & MOs

Info

ID:	148601
PubChem CID:	53788269
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	156.151415
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	1.62
IP(EA), eV:	-8.46(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane;2-ethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N=C3C(=N2)C4=C(N3)C=C(C=C4OC)OC

DOS

IR

Vibrations