Geometry & MOs

Info

ID:	182073
PubChem CID:	76838334
Reduced:	ClNO2C21H22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	418.225643
ΔH_f, kcal/mol:	-46.25
Dipole, Da:	3.32
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-[2-(1H-indol-3-yl)ethyl-(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C=CC1=CC2=C(C=C1)C(CC2)NCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations