Geometry & MOs

Info

ID:	424667
PubChem CID:	135123553
Reduced:	BrN4O4H17C18 (1)
Stoich.:	AB4C4D17E18 (1)
Weight, g/mol:	577.30529
ΔH_f, kcal/mol:	-0.65
Dipole, Da:	3.07
IP(EA), eV:	-8.14(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(4-methoxyphenyl)methyl]-5'-[2-(4-methoxyphenyl)pyrazol-3-yl]-7'-[(1-methylpiperidin-4-yl)amino]spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)OC2=C(C=CC3=C2[N+](=O)C4=CC=CC=C4N3[O-])Br

DOS

IR

Vibrations