Geometry & MOs

Info

ID:	216860
PubChem CID:	85086891
Reduced:	ON3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	309.230394
ΔH_f, kcal/mol:	-23.93
Dipole, Da:	4.19
IP(EA), eV:	-8.83(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-hydroxypentadeca-4,7-dienyl)oxirane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2C3CN(CC3NN2)C(=O)C4CCCCC4

DOS

IR

Vibrations