Geometry & MOs

Info

ID:	433596
PubChem CID:	135173736
Reduced:	O4N7C40H43 (1)
Stoich.:	A4B7C40D43 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-29.41
Dipole, Da:	6.3
IP(EA), eV:	-8.41(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-but-1-enyl]-5-(1-methoxypropyl)pyridine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(O2)CN(C3)C(=O)CN4CCCCC4C(=O)O)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCCC8)C

DOS

IR

Vibrations