Geometry & MOs

Info

ID:	138251
PubChem CID:	52334001
Reduced:	BrO2N4H19C25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	83.27
Dipole, Da:	6.87
IP(EA), eV:	-9.23(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-phenylmethoxy-N-(4-pyridin-4-yloxyphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](N4C(=NC=N4)N=C3C5=CC=CC=C5O2)C6=CC=C(C=C6)Br

DOS

IR

Vibrations