Geometry & MOs

Info

ID:	429205
PubChem CID:	135169052
Reduced:	O3N6H28C30 (1)
Stoich.:	A3B6C28D30 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	13.24
Dipole, Da:	7.54
IP(EA), eV:	-9.01(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-oxo-N-pyridin-4-ylazetidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=NC=C1)C(=O)[C@@H]2[C@H](C(=O)N2C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC(=NC=C5)N

DOS

IR

Vibrations