Geometry & MOs

Info

ID:	233707
PubChem CID:	92092980
Reduced:	ON5H17C20 (1)
Stoich.:	AB5C17D20 (1)
Weight, g/mol:	347.126991
ΔH_f, kcal/mol:	82.88
Dipole, Da:	7.16
IP(EA), eV:	-9.16(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-pyridin-4-ylpyridin-3-yl)methylcarbamoyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CN2CC(=O)NCC3=C(N=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations