Geometry & MOs

Info

ID:	268476
PubChem CID:	103599535
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	441.18009
ΔH_f, kcal/mol:	-26.21
Dipole, Da:	5.49
IP(EA), eV:	-8.45(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CC(=C2)CNC(=O)C(=CC3=CC=CO3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations