Geometry & MOs

Info

ID:	364975
PubChem CID:	127316625
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-93.28
Dipole, Da:	4.5
IP(EA), eV:	-9.18(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(oxan-4-yloxy)pyridin-4-yl]methyl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=NC=C3)OC4CCOCC4

DOS

IR

Vibrations