Geometry & MOs

Info

ID:	432914
PubChem CID:	135173051
Reduced:	OF2N8H20C26 (1)
Stoich.:	AB2C8D20E26 (1)
Weight, g/mol:	327.288577
ΔH_f, kcal/mol:	80.34
Dipole, Da:	10.28
IP(EA), eV:	-8.85(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(2-aminoacetyl)amino]pentyl]-4,4-dimethyl-2-propan-2-ylhexanamide

Drug info:

PubChemData

Smile

CCC(NC1=CN=CC(=C1)C2=NC=C3C(=C2F)/C(=C\4/N=C5C=NC=C(C5=N4)C6=CC=CC=C6F)/NN3)O

DOS

IR

Vibrations