Geometry & MOs

Info

ID:	307281
PubChem CID:	125299333
Reduced:	O5C22H32 (1)
Stoich.:	A5B22C32 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-178.42
Dipole, Da:	8.73
IP(EA), eV:	-9.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-2-(2H-indol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC/C=C/C[C@@H](/C=C/C=C/C=C/C=C/[C@H]([C@@H](C/C=C/CCC(=O)O)O)O)O

DOS

IR

Vibrations