Geometry & MOs

Info

ID:	287769
PubChem CID:	104294165
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	231.071785
ΔH_f, kcal/mol:	-35.79
Dipole, Da:	4.38
IP(EA), eV:	-8.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-5-methylphenyl)-(5-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N)C(=O)C2=C(C(=C(C(=C2C)C)C)C)C

DOS

IR

Vibrations