Geometry & MOs

Info

ID:	184612
PubChem CID:	77183199
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	456.23727
ΔH_f, kcal/mol:	-95.17
Dipole, Da:	7.87
IP(EA), eV:	-9.72(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[4-[2-amino-4-(2-methoxyethoxycarbonylamino)phenyl]pyridin-2-yl]but-3-enyl]carbamate

Drug info:

PubChemData

Smile

COCCCCCCCCOC1=CC=NC(=O)C1=C

DOS

IR

Vibrations