Geometry & MOs

Info

ID:	299058
PubChem CID:	117670398
Reduced:	IN2H21C25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	252.097272
ΔH_f, kcal/mol:	125.16
Dipole, Da:	3.31
IP(EA), eV:	-8.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-cyclohexa-2,4-dien-1-yl]-5-(3-methylphenyl)thiophene

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)I

DOS

IR

Vibrations