Geometry & MOs

Info

ID:	27017
PubChem CID:	811641
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-111.6
Dipole, Da:	2.45
IP(EA), eV:	-9.24(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-(4-methylphenyl)-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC(=NC(=O)C1=CC=C(C=C1)C)N2C[C@@H](O[C@H](C2)C)C

DOS

IR

Vibrations