Geometry & MOs

Info

ID:	322797
PubChem CID:	126671174
Reduced:	ClN3O4C25H34 (1)
Stoich.:	AB3C4D25E34 (1)
Weight, g/mol:	501.465814
ΔH_f, kcal/mol:	-152.43
Dipole, Da:	2.5
IP(EA), eV:	-9.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[4-[4-(tert-butylamino)butyl]phenyl]-2,5,5-trimethylhexan-2-yl]-1-(2-ethoxyethyl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=NO1)C(C)(C)C)C(=O)N2CC(CC2C(=O)NC(C)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations