Geometry & MOs

Info

ID:	270197
PubChem CID:	103633499
Reduced:	ClO2N3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	301.995048
ΔH_f, kcal/mol:	-8.18
Dipole, Da:	4.84
IP(EA), eV:	-8.66(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)N(C)CCCNCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations