Geometry & MOs

Info

ID:	441114
PubChem CID:	135233152
Reduced:	NC17H26 (2)
Stoich.:	AB17C26 (2)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	30.02
Dipole, Da:	3.92
IP(EA), eV:	-7.85(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-6-(methylamino)hex-5-en-2-yl]-3-(2-methylpropanoyl)-4-nitrosopyran-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C)CC(C)C(=C)/C(=C(\C)/C=C(\C)/C(C)CC/C=C/NC)/C(=C)C)/C=C(\C=C)/C(C)C

DOS

IR

Vibrations