Geometry & MOs

Info

ID:	316522
PubChem CID:	126631125
Reduced:	SN2H14C24 (3)
Stoich.:	AB2C14D24 (3)
Weight, g/mol:	474.209599
ΔH_f, kcal/mol:	355.62
Dipole, Da:	2.56
IP(EA), eV:	-8.17(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-methylbenzo[c]carbazol-11-yl)-N,N-diphenylaniline

Drug info:

Smile

CC1(C2=C(C=CC(=C2)C3=NC(=NC(=N3)N4C5=CC=CC=C5C6=CC7=C(C=C64)SC8=CC=CC=C87)N9C2=CC=CC=C2C2=CC3=C(C=C29)SC2=CC=CC=C23)C2=C1C=C(C=C2)N1C2=CC=CC=C2C2=CC3=C(C=C21)SC1=CC=CC=C13)C

DOS

IR

Vibrations