Geometry & MOs

Info

ID:	398679
PubChem CID:	135034785
Reduced:	N2O2C27H36 (1)
Stoich.:	A2B2C27D36 (1)
Weight, g/mol:	530.220557
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	4.44
IP(EA), eV:	-8.83(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2CCC(CC2)CN[C@H]3C[C@@H]3C4=CC=CC=C4

DOS

IR

Vibrations