Geometry & MOs

Info

ID:	364010
PubChem CID:	127313681
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	206.116761
ΔH_f, kcal/mol:	-32.25
Dipole, Da:	3.12
IP(EA), eV:	-9.11(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations