Geometry & MOs

Info

ID:	181476
PubChem CID:	76748259
Reduced:	FO2N4H21C25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	412.377727
ΔH_f, kcal/mol:	-7.68
Dipole, Da:	6.27
IP(EA), eV:	-9.11(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C=CC2=NC(=C3N2CCOC3=O)C4=CC=C(C=C4)F)N5C=C(N=C5)C

DOS

IR

Vibrations