Geometry & MOs

Info

ID:	332356
PubChem CID:	127250642
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-26.04
Dipole, Da:	4.64
IP(EA), eV:	-7.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(6-aminopyridin-3-yl)pyridin-2-yl]morpholin-4-yl]-3-(4-methoxy-N-methylanilino)propan-1-one

Drug info:

PubChemData

Smile

CN(CCC(=O)N1CCOC(C1)C2=CC=CC(=N2)C3=CC=NN3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations