Geometry & MOs

Info

ID:	214483
PubChem CID:	85083111
Reduced:	N7C34H37 (1)
Stoich.:	A7B34C37 (1)
Weight, g/mol:	539.408693
ΔH_f, kcal/mol:	174.32
Dipole, Da:	6.68
IP(EA), eV:	-8.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-7-[[3-[(2-aminophenyl)methoxy]-4-tert-butylphenyl]methyl]-N-butyl-4-hydroxy-2,8-dimethylnonanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C(=NN12)C3CCCC3)CC4=CC=C(C=C4)C5=C(C=CC(=C5)CC6=CC=CC=C6)C7NNNN7)C

DOS

IR

Vibrations