Geometry & MOs

Info

ID:	150459
PubChem CID:	53790149
Reduced:	NPO7C19H30 (1)
Stoich.:	ABC7D19E30 (1)
Weight, g/mol:	574.304287
ΔH_f, kcal/mol:	-373.87
Dipole, Da:	2.01
IP(EA), eV:	-9.69(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[6-[4-(3,5-dimethyl-4-nitrophenyl)but-3-enoxy]hexyl]amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)C(C)(CCNC(=O)OCC1=CC=CC=C1)P(=O)(O)O

DOS

IR

Vibrations