Geometry & MOs

Info

ID:	224678
PubChem CID:	85345870
Reduced:	O5C19H24 (1)
Stoich.:	A5B19C24 (1)
Weight, g/mol:	332.152478
ΔH_f, kcal/mol:	-203.64
Dipole, Da:	5.59
IP(EA), eV:	-9.24(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-nitro-5-(2-phenylethenyl)-6,7,8,9-tetrahydrobenzo[g]indole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=CC(=O)C(C(=O)OC)C(C)(C)C(=O)OC)C

DOS

IR

Vibrations