Geometry & MOs

Info

ID:	160742
PubChem CID:	57389639
Reduced:	FON6H19C22 (1)
Stoich.:	ABC6D19E22 (1)
Weight, g/mol:	347.097145
ΔH_f, kcal/mol:	51.51
Dipole, Da:	5.94
IP(EA), eV:	-9.05(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloroanilino)-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NC=CC=N2)C(=O)NCCN3C=CC(=N3)C4=NC=C(C=C4)F

DOS

IR

Vibrations