Geometry & MOs

Info

ID:	411270
PubChem CID:	135084083
Reduced:	N3O4C10H11 (1)
Stoich.:	A3B4C10D11 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-36.36
Dipole, Da:	4.54
IP(EA), eV:	-9.6(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-2,2-dimethylhex-5-en-3-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=N/NC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations