Geometry & MOs

Info

ID:	326697
PubChem CID:	126688030
Reduced:	N8O13C51H80 (1)
Stoich.:	A8B13C51D80 (1)
Weight, g/mol:	133.089149
ΔH_f, kcal/mol:	-584.34
Dipole, Da:	9.5
IP(EA), eV:	-9.21(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine

Drug info:

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CCO)C(=O)N[C@@H](C(=O)NCC(=O)N(C)[C@H]1C2=C(C(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)NC(CO)(CO)CO)O)C)N

DOS

IR

Vibrations