Geometry & MOs

Info

ID:	190532
PubChem CID:	78016423
Reduced:	N5O8C28H43 (1)
Stoich.:	A5B8C28D43 (1)
Weight, g/mol:	206.129337
ΔH_f, kcal/mol:	-321.88
Dipole, Da:	3.54
IP(EA), eV:	-9.2(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(1-methylpyridin-1-ium-2-yl)-N-morpholin-4-ylmethanimine

Drug info:

PubChemData

Smile

CCCN(CCN(CC(CC1=CC=C(C=C1)NC(=O)C=CC(=O)NC)N(CCC)CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations