Geometry & MOs

Info

ID:	305446
PubChem CID:	124807274
Reduced:	ClON5C28H36 (1)
Stoich.:	ABC5D28E36 (1)
Weight, g/mol:	330.129905
ΔH_f, kcal/mol:	6.39
Dipole, Da:	3.56
IP(EA), eV:	-8.42(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)[C@H]2CCCN(C2)CC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations