Geometry & MOs

Info

ID:	208169
PubChem CID:	80502049
Reduced:	ON2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	276.129634
ΔH_f, kcal/mol:	37.89
Dipole, Da:	2.8
IP(EA), eV:	-10.32(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(C1)(C#N)C(=O)NCC#C

DOS

IR

Vibrations