Geometry & MOs

Info

ID:	323534
PubChem CID:	126675281
Reduced:	ClO2N5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	-12.14
Dipole, Da:	3.87
IP(EA), eV:	-8.71(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)N[C@H]3CCCC3OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations