Geometry & MOs

Info

ID:	161510
PubChem CID:	57391852
Reduced:	ON5H15C19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	413.185175
ΔH_f, kcal/mol:	72.98
Dipole, Da:	8.97
IP(EA), eV:	-9.01(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3=C4C(=NC=C3)N=CN4

DOS

IR

Vibrations