Geometry & MOs

Info

ID:	323791
PubChem CID:	126676187
Reduced:	NOC27H39 (1)
Stoich.:	ABC27D39 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-41.87
Dipole, Da:	1.45
IP(EA), eV:	-8.59(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CCC(C)C)CC1=CC=C(C=C1)C2=CC=C(C=C2)COC3CCCC3

DOS

IR

Vibrations