Geometry & MOs

Info

ID:	217041
PubChem CID:	85087154
Reduced:	O3C21H26 (1)
Stoich.:	A3B21C26 (1)
Weight, g/mol:	326.231791
ΔH_f, kcal/mol:	-93.6
Dipole, Da:	1.48
IP(EA), eV:	-9.85(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(4-aminobutyl)-6-(hexa-2,4-dienoylamino)-5-hydroxyhexanamide

Drug info:

PubChemData

Smile

CC(C)C1CCC2(C1C3(C2C(=O)CC3)OC(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations