Geometry & MOs

Info

ID:	219595
PubChem CID:	85149399
Reduced:	O8N9C25H43 (1)
Stoich.:	A8B9C25D43 (1)
Weight, g/mol:	517.379404
ΔH_f, kcal/mol:	-361.41
Dipole, Da:	4.72
IP(EA), eV:	-9.36(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

octadec-9-enyl 1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)O)CCCN=C(N)N)CCCCN)O

DOS

IR

Vibrations