Geometry & MOs

Info

ID:	138032
PubChem CID:	52301434
Reduced:	ClO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	281.16876
ΔH_f, kcal/mol:	-70.42
Dipole, Da:	1.98
IP(EA), eV:	-8.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(azepan-1-ium-1-yl)ethyl]-2,5-dimethylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N[C@H](C)C2=CC=CC=C2Cl)NC(=O)C

DOS

IR

Vibrations