Geometry & MOs

Info

ID:	243012
PubChem CID:	99215030
Reduced:	ClN2O2C22H27 (1)
Stoich.:	AB2C2D22E27 (1)
Weight, g/mol:	433.1001
ΔH_f, kcal/mol:	-59.43
Dipole, Da:	2.09
IP(EA), eV:	-8.57(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-2-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations