Geometry & MOs

Info

ID:	443943
PubChem CID:	135260678
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-64.1
Dipole, Da:	4.61
IP(EA), eV:	-9.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[4-[(1S,2R)-2-(but-3-enylcarbamoyl)cyclopropyl]pyridin-2-yl]but-3-enyl]carbamic acid

Drug info:

PubChemData

Smile

C=CCCNC(=O)[C@H]1C[C@H]1C2=CC(=NC=C2)[C@H](CC=C)NC(=O)O

DOS

IR

Vibrations