Geometry & MOs

Info

ID:	149669
PubChem CID:	53789343
Reduced:	ClN3O6C29H32 (1)
Stoich.:	AB3C6D29E32 (1)
Weight, g/mol:	396.302831
ΔH_f, kcal/mol:	-132.9
Dipole, Da:	4.21
IP(EA), eV:	-8.91(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-methylpropyl)phenyl]-10-phenylmethoxydecan-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(CN3CCCCC3)C4=CC=CC=C4Cl)C

DOS

IR

Vibrations