Geometry & MOs

Info

ID:	427461
PubChem CID:	135159094
Reduced:	N5C21H21 (1)
Stoich.:	A5B21C21 (1)
Weight, g/mol:	385.201734
ΔH_f, kcal/mol:	133.1
Dipole, Da:	10.14
IP(EA), eV:	-7.75(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=C3N=C4C=C5CNCC5=CC4=N3)N(N2)C)C

DOS

IR

Vibrations