Geometry & MOs

Info

ID:	442999
PubChem CID:	135257352
Reduced:	N5C38H43 (1)
Stoich.:	A5B38C43 (1)
Weight, g/mol:	675.270819
ΔH_f, kcal/mol:	90.08
Dipole, Da:	2.92
IP(EA), eV:	-7.64(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-[4-(1,2,3,4,4a,9a-hexahydro-[1]benzothiolo[2,3-b]pyridin-4-yl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

CN1CCC2CCC(NC2C1)C3=CC=C(C=C3)N4C5C(CCCN5)C6=C4C=CC(=C6)N(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations