Geometry & MOs

Info

ID:	384179
PubChem CID:	134976486
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	445.298079
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	3.28
IP(EA), eV:	-9.36(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC(=C=C/C=C/C(=O)NCC(C)C)C

DOS

IR

Vibrations