Geometry & MOs

Info

ID:	275718
PubChem CID:	103817247
Reduced:	ClO2N4H11C13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	24.55
Dipole, Da:	1.89
IP(EA), eV:	-9.82(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1-methylimidazole-4-carbonyl)amino]-2-phenylacetate

Drug info:

PubChemData

Smile

C1=COC(=C1)CN(CCC#N)C(=O)C2=CN=C(C=N2)Cl

DOS

IR

Vibrations