Geometry & MOs

Info

ID:	1644
PubChem CID:	4814
Reduced:	O3N4H20C21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	376.153541
ΔH_f, kcal/mol:	-33.24
Dipole, Da:	7.22
IP(EA), eV:	-9.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-N,3-N-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations