Geometry & MOs

Info

ID:	30383
PubChem CID:	841234
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	259.103085
ΔH_f, kcal/mol:	-13.72
Dipole, Da:	5.67
IP(EA), eV:	-8.88(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-ethylphenyl)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=NNC(=O)[C@H](C)OC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations