Geometry & MOs

Info

ID:	25486
PubChem CID:	625681
Reduced:	ClS2H9C15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	289.109423
ΔH_f, kcal/mol:	76.34
Dipole, Da:	2.95
IP(EA), eV:	-8.65(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=S)C=C(S2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations