Geometry & MOs

Info

ID:	328692
PubChem CID:	126726578
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	4.14
Dipole, Da:	2.89
IP(EA), eV:	-9.72(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-3-[(5Z,7Z)-4,9-dimethylidene-3,10-dihydro-2H-azecin-1-yl]-2-hydroxypropyl]pyridin-2-one

Drug info:

PubChemData

Smile

CCC1(CC2CC1C3C2C4CCC3C4)C=O

DOS

IR

Vibrations