Geometry & MOs

Info

ID:	419921
PubChem CID:	135109793
Reduced:	SN6O7C34H42 (1)
Stoich.:	AB6C7D34E42 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	-186.31
Dipole, Da:	12.14
IP(EA), eV:	-8.37(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-(3-pyridin-4-ylazetidin-1-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](COC2=CC=C(C[C@@H](C(=O)N1)NC(=O)C3=CSC=N3)C=C2)CC4=CC=CC=C4)C(C)C)[C@@H](C)O

DOS

IR

Vibrations