Geometry & MOs

Info

ID:	208408
PubChem CID:	80526844
Reduced:	BrOSN2C16H21 (1)
Stoich.:	ABCD2E16F21 (1)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	-17.76
Dipole, Da:	2.43
IP(EA), eV:	-9.1(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide

Drug info:

PubChemData

Smile

CCCN1C=C(C=C1C(=O)NCC(C)(C)C2=CC=CS2)Br

DOS

IR

Vibrations