Geometry & MOs

Info

ID:	198603
PubChem CID:	79123360
Reduced:	NOC19H33 (1)
Stoich.:	ABC19D33 (1)
Weight, g/mol:	297.266779
ΔH_f, kcal/mol:	-91.1
Dipole, Da:	5.27
IP(EA), eV:	-10.28(1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-propan-2-yloxan-4-ol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)(C2(CCC(CC2)C(C)(C)C)C#N)O)C

DOS

IR

Vibrations