Geometry & MOs

Info

ID:	276579
PubChem CID:	103824361
Reduced:	BrN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	302.145285
ΔH_f, kcal/mol:	-98.91
Dipole, Da:	3.11
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2,2-trimethyl-3-[(5-phenylthiophen-2-yl)methylamino]propanamide

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC2=C(C=C1Br)OCO2)C(=O)NC

DOS

IR

Vibrations