Geometry & MOs

Info

ID:	186448
PubChem CID:	77434761
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	526.18311
ΔH_f, kcal/mol:	-136.69
Dipole, Da:	2.65
IP(EA), eV:	-9.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-[4-(3-bromophenyl)-2-methyl-5-oxo-2-(3,4,4-trimethylpentyl)imidazol-1-yl]ethyl]benzoate

Drug info:

PubChemData

Smile

CC1NCC(=O)N1C(CCC(C)(C)C)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations