Geometry & MOs

Info

ID:	323426
PubChem CID:	126674782
Reduced:	F3O4N5C21H26 (1)
Stoich.:	A3B4C5D21E26 (1)
Weight, g/mol:	435.263425
ΔH_f, kcal/mol:	-286.75
Dipole, Da:	7.23
IP(EA), eV:	-9.11(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]-[[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]amino]methanol

Drug info:

PubChemData

Smile

CNC1=NC=CC(=N1)OC2CCC(CC2)NC(=O)NC3=CC(=CC(=C3OC)CO)C(F)(F)F

DOS

IR

Vibrations