Geometry & MOs

Info

ID:	445255
PubChem CID:	135265545
Reduced:	ClNO5C22H26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	336.256549
ΔH_f, kcal/mol:	-173.46
Dipole, Da:	9.45
IP(EA), eV:	-8.67(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2,5-dimethyl-4-(4-pentan-2-ylphenyl)phenyl]-N-ethyl-N-methylmethanimidamide

Drug info:

PubChemData

Smile

CN([C@H]1CC(=O)OC2=CC=CCC12)C3=CC(=C(C=C3)OC)OC(=O)CCCCCl

DOS

IR

Vibrations