Geometry & MOs

Info

ID:	182026
PubChem CID:	76830460
Reduced:	N5O6C35H49 (1)
Stoich.:	A5B6C35D49 (1)
Weight, g/mol:	478.227473
ΔH_f, kcal/mol:	-219.82
Dipole, Da:	8.87
IP(EA), eV:	-8.74(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-(4-chlorophenyl)-1-[(4-methylphenyl)methoxy]pentan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC=C(C=C1)OCC=C)C(=O)CC(CCCCN=C(N)N)C(=O)NC(CCCCC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations