Geometry & MOs

Info

ID:	309518
PubChem CID:	126546830
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	424.168602
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	2.19
IP(EA), eV:	-8.98(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2'R,7aR)-7a-[(2S)-1-(2-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-yl]-2'-phenylspiro[7H-1,3-benzodioxole-6,1'-cyclopropane]-5-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C1=CN(N=N1)C(CC2=CC=C(C=C2)O)C(=O)C3CCNCC3)N

DOS

IR

Vibrations