Geometry & MOs

Info

ID:	121097
PubChem CID:	50755839
Reduced:	ClO2N4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	348.135304
ΔH_f, kcal/mol:	-56.91
Dipole, Da:	3.66
IP(EA), eV:	-9.47(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[(2-chlorophenyl)methyl]-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(NC=N1)C(=O)NCC2=CC=CC=C2Cl

DOS

IR

Vibrations