Geometry & MOs

Info

ID:	439766
PubChem CID:	135229586
Reduced:	NOH55C89 (1)
Stoich.:	ABC55D89 (1)
Weight, g/mol:	164.107539
ΔH_f, kcal/mol:	352.21
Dipole, Da:	0.94
IP(EA), eV:	-8.25(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-cyclopropyl-1-methoxy-4-methylpyridin-1-ium

Drug info:

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC=CC(=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations