Geometry & MOs

Info

ID:	449502
PubChem CID:	135299120
Reduced:	O2N5H23C27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	445.165108
ΔH_f, kcal/mol:	96.91
Dipole, Da:	6.66
IP(EA), eV:	-8.22(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3E)-3-(1,3-dihydroimidazo[4,5-c]pyridin-2-ylidene)pyrrolo[3,2-b]pyridin-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CCC(NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=COC=C6)O

DOS

IR

Vibrations