Geometry & MOs

Info

ID:	296689
PubChem CID:	117588744
Reduced:	NOC12H12 (2)
Stoich.:	ABC12D12 (2)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	-19.66
Dipole, Da:	5.55
IP(EA), eV:	-8.79(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-methyl-4-(2-nitrophenoxy)imino-2-propan-2-ylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=C2C3=C(C=C1)C(=CC(N3C(=O)C2=O)(C)C)CN4CCC5=CC=CC=C5C4

DOS

IR

Vibrations