Geometry & MOs

Info

ID:	42345
PubChem CID:	8149458
Reduced:	NCl2H17C21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	380.167083
ΔH_f, kcal/mol:	54.97
Dipole, Da:	1.76
IP(EA), eV:	-8.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(4-piperidin-1-ylanilino)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)Cl)Cl)NC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations