Geometry & MOs

Info

ID:	427273
PubChem CID:	135156568
Reduced:	O4N7C41H41 (1)
Stoich.:	A4B7C41D41 (1)
Weight, g/mol:	302.043
ΔH_f, kcal/mol:	-7.81
Dipole, Da:	5.75
IP(EA), eV:	-8.4(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-bromo-2-fluoropyridin-3-yl)methyl-prop-2-enylamino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=CC(=CC(=C3O2)C#N)CN4CCC(CC4)C(=O)O)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CNC[C@@H](C)O)C

DOS

IR

Vibrations