Geometry & MOs

Info

ID:	200393
PubChem CID:	79381402
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-147.75
Dipole, Da:	2.54
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyclopropylamino)-4-oxobutyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(C)(C)O)C(=O)C1=C(C=C(C=C1)C)O

DOS

IR

Vibrations