Geometry & MOs

Info

ID:	413073
PubChem CID:	135086017
Reduced:	BrN2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	322.165683
ΔH_f, kcal/mol:	80.32
Dipole, Da:	2.73
IP(EA), eV:	-8.36(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)-3,3,3-trifluoropropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)N=CC1=C(N(C2=CC=CC=C21)CCCC#C)Br

DOS

IR

Vibrations