Geometry & MOs

Info

ID:	156433
PubChem CID:	56370581
Reduced:	N3O4C26H35 (1)
Stoich.:	A3B4C26D35 (1)
Weight, g/mol:	412.189926
ΔH_f, kcal/mol:	-150.29
Dipole, Da:	5.12
IP(EA), eV:	-7.99(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[(3-methylphenyl)methyl]-N-[(4-methylquinazolin-2-yl)methyl]-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)NC(C)CC(=O)NC2=CC(=CC=C2)N3CCCC3)OCC

DOS

IR

Vibrations