Geometry & MOs

Info

ID:	218184
PubChem CID:	85089002
Reduced:	ClFON2C26H26 (1)
Stoich.:	ABCD2E26F26 (1)
Weight, g/mol:	436.191756
ΔH_f, kcal/mol:	-26.82
Dipole, Da:	3.66
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]-4-phenylbutanoate

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCCC2(CCC4=CC(=CC=C4)Cl)O)N(N=C3)C5=CC=C(C=C5)F

DOS

IR

Vibrations