Geometry & MOs

Info

ID:	188142
PubChem CID:	77673662
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	342.230728
ΔH_f, kcal/mol:	-78.21
Dipole, Da:	4.8
IP(EA), eV:	-8.74(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(hydroxymethyl)phenyl]-1,2,3,3a,4,5,5a,6,6a,7,8,9,10,10a,10b,10c-hexadecahydropyrrolo[3,4-c]carbazol-9-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=CC3=C2NC=C3CCNCC(C4=CN=CC=C4)O

DOS

IR

Vibrations