Geometry & MOs

Info

ID:	391415
PubChem CID:	135004854
Reduced:	N3O3H27C31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	317.177964
ΔH_f, kcal/mol:	35.29
Dipole, Da:	4.26
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyl-3,4-dimethyl-7-phenylmethoxy-1,2-dihydrocyclopenta[b]indole

Drug info:

PubChemData

Smile

CC(C)(C)N=C=C(C(C(=O)C1=CC=CC=C1)N2C=CN=C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations