Geometry & MOs

Info

ID:	233645
PubChem CID:	91147426
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	647.291674
ΔH_f, kcal/mol:	-175.24
Dipole, Da:	7.38
IP(EA), eV:	-8.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C2=C(CCCCCC2)C=C(C1=O)C(=O)NC3=CC=C(C=C3)OC(=O)CC

DOS

IR

Vibrations