Geometry & MOs

Info

ID:	257042
PubChem CID:	103143239
Reduced:	N2C19H20 (1)
Stoich.:	A2B19C20 (1)
Weight, g/mol:	294.134383
ΔH_f, kcal/mol:	53.55
Dipole, Da:	5.16
IP(EA), eV:	-8.93(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3-(trifluoromethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C2=CC=CC3=C2C=NC=C3)N)C

DOS

IR

Vibrations