Geometry & MOs

Info

ID:	444855
PubChem CID:	135263755
Reduced:	N2O5C12H16 (1)
Stoich.:	A2B5C12D16 (1)
Weight, g/mol:	467.159354
ΔH_f, kcal/mol:	-206.42
Dipole, Da:	10.98
IP(EA), eV:	-10.4(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-cyanopyridin-4-yl)-5-[3-methoxy-5-(prop-2-enoylamino)phenyl]pyrrolo[2,3-c]pyridin-1-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC(=O)N(C1=O)CCNC(=O)CCCCC(=O)O

DOS

IR

Vibrations