Geometry & MOs

Info

ID:	285095
PubChem CID:	104097827
Reduced:	SN2O4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-29.04
Dipole, Da:	7.09
IP(EA), eV:	-8.43(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]-3-propan-2-ylaniline

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NCC3=CC=C(S3)[N+](=O)[O-])OC1

DOS

IR

Vibrations