Geometry & MOs

Info

ID:	326175
PubChem CID:	126686900
Reduced:	N5C16H25 (1)
Stoich.:	A5B16C25 (1)
Weight, g/mol:	446.16333
ΔH_f, kcal/mol:	51.96
Dipole, Da:	6.47
IP(EA), eV:	-8.54(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-3-methoxypropanamide

Drug info:

PubChemData

Smile

CC=C(C)[C@H]1CC(=CC(=N)[C@]1(C)N)C2NC(=C(C=N2)C)N

DOS

IR

Vibrations