Geometry & MOs

Info

ID:	121095
PubChem CID:	50755597
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-47.66
Dipole, Da:	5.9
IP(EA), eV:	-9.02(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)COC1=CC=CC(=C1)C2=NOC(=N2)/C=C/C3=CC=C(C=C3)OC

DOS

IR

Vibrations