Geometry & MOs

Info

ID:	82413
PubChem CID:	49856003
Reduced:	O3N5C29H29 (1)
Stoich.:	A3B5C29D29 (1)
Weight, g/mol:	328.117155
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	3.57
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)CN(C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C(=O)C=C(C)C)C(=O)N1C

DOS

IR

Vibrations