Geometry & MOs

Info

ID:	217134
PubChem CID:	85087305
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	335.209658
ΔH_f, kcal/mol:	88.97
Dipole, Da:	3.2
IP(EA), eV:	-9.13(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[2-[4-[(2-hydroxycyclohexyl)methyl]phenoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C2C(C(=NN2)N)C#N)C#N)C=C(C1=O)C(C)C

DOS

IR

Vibrations