Geometry & MOs

Info

ID:	325948
PubChem CID:	126685729
Reduced:	NI2C15H27 (1)
Stoich.:	AB2C15D27 (1)
Weight, g/mol:	390.065031
ΔH_f, kcal/mol:	33.98
Dipole, Da:	4.6
IP(EA), eV:	-9.18(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dichlorophenyl)methyl]-2-(6-ethylpyrazin-2-yl)-5-methylimidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(CC(C)I)C(C)(CC)NCC#CI

DOS

IR

Vibrations