Geometry & MOs

Info

ID:	180992
PubChem CID:	76713795
Reduced:	ClNO4C21H32 (1)
Stoich.:	ABC4D21E32 (1)
Weight, g/mol:	418.283158
ΔH_f, kcal/mol:	-213.49
Dipole, Da:	3.0
IP(EA), eV:	-9.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-methyl-N-[3-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

Drug info:

PubChemData

Smile

CCCCCC(C1CN(CCO1)C(=O)OC(C)(C)C)(C2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations