Geometry & MOs

Info

ID:	46319
PubChem CID:	10523872
Reduced:	N3O7C17H23 (1)
Stoich.:	A3B7C17D23 (1)
Weight, g/mol:	381.132471
ΔH_f, kcal/mol:	-308.45
Dipole, Da:	4.71
IP(EA), eV:	-8.55(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-imidazol-1-yl-1-(3-nitrophenyl)ethoxy]methyl]benzoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC(=C1OC(=O)C)N)C[C@@H](COC(=O)C)NC(=O)OC

DOS

IR

Vibrations