Geometry & MOs

Info

ID:	372440
PubChem CID:	131297661
Reduced:	OC8H12 (1)
Stoich.:	AB8C12 (1)
Weight, g/mol:	188.040819
ΔH_f, kcal/mol:	-16.47
Dipole, Da:	4.26
IP(EA), eV:	-10.01(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-1-benzothiophene-6-carbonitrile

Drug info:

PubChemData

Smile

CC1(CC1/C=C/C=O)C

DOS

IR

Vibrations