Geometry & MOs

Info

ID:	217149
PubChem CID:	85087329
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	336.129634
ΔH_f, kcal/mol:	-26.83
Dipole, Da:	6.21
IP(EA), eV:	-8.4(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxopropylsulfanyl)-4-(2-phenylethenyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)NC(=CC(=O)C1=CC=CC=C1)C=C(C2=CC(=CC=C2)OC)N

DOS

IR

Vibrations