Geometry & MOs

Info

ID:	206742
PubChem CID:	80293774
Reduced:	O2N4H8C11 (1)
Stoich.:	A2B4C8D11 (1)
Weight, g/mol:	240.104482
ΔH_f, kcal/mol:	34.17
Dipole, Da:	6.55
IP(EA), eV:	-9.9(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(2-carbamothioylimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(N=CC=C1)N2C=CN=C2C#N

DOS

IR

Vibrations