Geometry & MOs

Info

ID:	331967
PubChem CID:	127250253
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	442.16166
ΔH_f, kcal/mol:	-75.93
Dipole, Da:	4.17
IP(EA), eV:	-8.3(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-aminopyridin-3-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CC2=CN=C(C=C2)C3CN(CCO3)C(=O)C4=CN=C(C=C4)N

DOS

IR

Vibrations