Geometry & MOs

Info

ID:	187993
PubChem CID:	77652232
Reduced:	FO2N5H30C32 (1)
Stoich.:	AB2C5D30E32 (1)
Weight, g/mol:	391.356263
ΔH_f, kcal/mol:	-11.05
Dipole, Da:	3.0
IP(EA), eV:	-8.45(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[5-(heptan-4-ylamino)heptylamino]-4-phenylbutan-2-ol

Drug info:

PubChemData

Smile

CC(C)C(=O)CNC1=CC(=CC(=C1)C(=O)NC(C)C2=CC=C(C=C2)F)C3=CN(C=N3)C4=CC5=CC=CC=C5C=N4

DOS

IR

Vibrations