Geometry & MOs

Info

ID:	320472
PubChem CID:	126661314
Reduced:	NC25H41 (1)
Stoich.:	AB25C41 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	18.79
Dipole, Da:	1.83
IP(EA), eV:	-8.32(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-2-methyl-9-(4-nitrophenyl)-3-oxo-5,6,7,8-tetrahydro-4H-4-benzazecine-11-carbonitrile

Drug info:

PubChemData

Smile

CCCNC(=C)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

DOS

IR

Vibrations