Geometry & MOs

Info

ID:	147956
PubChem CID:	53787617
Reduced:	O3C36H56 (1)
Stoich.:	A3B36C56 (1)
Weight, g/mol:	340.236208
ΔH_f, kcal/mol:	-204.86
Dipole, Da:	1.99
IP(EA), eV:	-9.51(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylcyclohexyl) N-methyl-N-[methyl-(1-methylcyclohexyl)oxycarbonylamino]carbamate

Drug info:

PubChemData

Smile

CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CCC(C4)C5=CC(=CC=C5)OC(=O)O)C)C)C(C)C

DOS

IR

Vibrations