Geometry & MOs

Info

ID:	182414
PubChem CID:	76887295
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	254.145285
ΔH_f, kcal/mol:	-15.66
Dipole, Da:	5.73
IP(EA), eV:	-10.13(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)butanamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N)N

DOS

IR

Vibrations