Geometry & MOs

Info

ID:	424617
PubChem CID:	135123338
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	678.212376
ΔH_f, kcal/mol:	12.58
Dipole, Da:	7.33
IP(EA), eV:	-9.12(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[4-[1'-[(4-methoxyphenyl)methyl]-2'-oxo-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-7'-yl]oxy-1-oxothian-1-ylidene]acetamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C3COC3

DOS

IR

Vibrations