Geometry & MOs

Info

ID:	448647
PubChem CID:	135292455
Reduced:	ON2C27H48 (1)
Stoich.:	AB2C27D48 (1)
Weight, g/mol:	458.423614
ΔH_f, kcal/mol:	-110.1
Dipole, Da:	1.8
IP(EA), eV:	-8.02(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-1,6-dimethyl-4-(3,7,11,15-tetramethylhexadecyl)-2,3-dihydropyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC1=C(C(=C2CCN(C2=N1)C)CCC(C)CCCCCCCCCCCC(C)C)O

DOS

IR

Vibrations