Geometry & MOs

Info

ID:	436409
PubChem CID:	135200491
Reduced:	ClON5C11H12 (1)
Stoich.:	ABC5D11E12 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	120.11
Dipole, Da:	2.2
IP(EA), eV:	-8.56(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-[6-methoxy-4-[2-(2-methylbut-3-enoylamino)phenyl]pyridin-2-yl]but-3-enyl]carbamate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)Cl)N2C=C(NN2)C(=N)N=O

DOS

IR

Vibrations