Geometry & MOs

Info

ID:	449391
PubChem CID:	135298233
Reduced:	BrN2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	40.13
Dipole, Da:	6.44
IP(EA), eV:	-8.88(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-methylcyclohexylidene)methyl]-1H-indole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NC3=C(N2CC(C)C)C=CC(=C3)Br

DOS

IR

Vibrations