Geometry & MOs

Info

ID:	133290
PubChem CID:	51504849
Reduced:	O2N3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	323.175953
ΔH_f, kcal/mol:	23.3
Dipole, Da:	2.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.219833
Charge, e:	1

Chem-info

IUPAC name:

(6-methoxy-1H-indol-3-yl)methyl-[1-(4-methoxyphenyl)cyclopropyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CC2)[NH2+]CC3=CN(C4=CC=CC=C43)CC(=O)N

DOS

IR

Vibrations