Geometry & MOs

Info

ID:	445673
PubChem CID:	135268869
Reduced:	ClN3O4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	403.273596
ΔH_f, kcal/mol:	-157.3
Dipole, Da:	5.73
IP(EA), eV:	-9.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethenyl-N-methyl-1-[(4-methylphenyl)methyl]-5-[1-[methyl(2H-pyrrol-3-ylmethyl)amino]ethenyl]-2-propan-2-ylimidazol-4-amine

Drug info:

PubChemData

Smile

CCN1C2=C(CC(C(=N2)OCC)CC3=CC=C(C=C3)Cl)C(=O)N(C1=O)CCCO

DOS

IR

Vibrations