Geometry & MOs

Info

ID:	332110
PubChem CID:	127250396
Reduced:	ClO2N5C22H22 (1)
Stoich.:	AB2C5D22E22 (1)
Weight, g/mol:	422.150954
ΔH_f, kcal/mol:	-6.24
Dipole, Da:	1.4
IP(EA), eV:	-9.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(6-aminopyridin-3-yl)pyridin-2-yl]morpholin-4-yl]-3-(3-chlorophenyl)propan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CC(=CC=C2)Cl)C3=NC=C(C=C3)C4=CN=C(N=C4)N

DOS

IR

Vibrations