Geometry & MOs

Info

ID:	43483
PubChem CID:	10321370
Reduced:	ClFSO2N4H20C21 (1)
Stoich.:	ABCD2E4F20G21 (1)
Weight, g/mol:	446.176106
ΔH_f, kcal/mol:	-25.67
Dipole, Da:	7.72
IP(EA), eV:	-9.44(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methyl]-9,10-dimethoxy-1-phenyl-2,4,6,7-tetrahydropyrimido[6,1-a]isoquinoline

Drug info:

PubChemData

Smile

CCC(CC)C(=O)NC1=C(C(=C(S1)C2=NC(=NO2)CC3=C(C=C(C=C3)F)Cl)C)C#N

DOS

IR

Vibrations