Geometry & MOs

Info

ID:	206478
PubChem CID:	80256708
Reduced:	IN3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	291.219829
ΔH_f, kcal/mol:	55.27
Dipole, Da:	2.96
IP(EA), eV:	-8.9(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C2=NC=C(C(=N2)NC)I

DOS

IR

Vibrations