Geometry & MOs

Info

ID:	397178
PubChem CID:	135029850
Reduced:	N2O2H22C25 (1)
Stoich.:	A2B2C22D25 (1)
Weight, g/mol:	338.170207
ΔH_f, kcal/mol:	21.83
Dipole, Da:	3.36
IP(EA), eV:	-8.91(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-dimethyl-2-(2-trimethylsilylethynyl)cyclohexa-1,4-dien-1-yl]-(4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CN1[C@@H]([C@@]2(CC1=O)C3=CC=CC=C3N=C2C4=CC=CC=C4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations