Geometry & MOs

Info

ID:	188365
PubChem CID:	77704841
Reduced:	N7O7C16H23 (1)
Stoich.:	A7B7C16D23 (1)
Weight, g/mol:	477.205242
ΔH_f, kcal/mol:	-191.87
Dipole, Da:	9.74
IP(EA), eV:	-9.65(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(1H-imidazol-2-yl)-1-phenylethoxy]-5-(1H-indol-4-yloxymethyl)-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

C1C(NC2C(N1)NC(NC2=O)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(C(CO)O)O

DOS

IR

Vibrations