Geometry & MOs

Info

ID:	299817
PubChem CID:	117695752
Reduced:	F3O4N5C21H24 (1)
Stoich.:	A3B4C5D21E24 (1)
Weight, g/mol:	444.197297
ΔH_f, kcal/mol:	-261.73
Dipole, Da:	6.18
IP(EA), eV:	-9.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropanecarbonylamino)-N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)pyridin-3-yl]ethyl]-6-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=NC=CC(=C1)C(=O)NCC2=C(N=C(C=C2)OCC(F)(F)F)N3CCOCC3

DOS

IR

Vibrations