Geometry & MOs

Info

ID:	331949
PubChem CID:	127250235
Reduced:	ClO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-4.66
Dipole, Da:	4.4
IP(EA), eV:	-8.94(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(2,5-dimethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-[2-(methylamino)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations