Geometry & MOs

Info

ID:	204547
PubChem CID:	79980360
Reduced:	N3C16H19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	77.2
Dipole, Da:	4.55
IP(EA), eV:	-8.08(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(N1CC=C)N)C2=CC=C(C=C2)C3CC3

DOS

IR

Vibrations