Geometry & MOs

Info

ID:	203482
PubChem CID:	79836682
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	239.224915
ΔH_f, kcal/mol:	-48.49
Dipole, Da:	4.48
IP(EA), eV:	-8.55(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1)SC2=C(C=C(C=C2)N)OC

DOS

IR

Vibrations