Geometry & MOs

Info

ID:	424507
PubChem CID:	135122955
Reduced:	O3N5C30H41 (1)
Stoich.:	A3B5C30D41 (1)
Weight, g/mol:	458.231791
ΔH_f, kcal/mol:	-63.33
Dipole, Da:	4.64
IP(EA), eV:	-8.9(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-5-[2-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrazol-3-yl]spiro[1H-indole-3,1'-cyclobutane]-2-one

Drug info:

PubChemData

Smile

CC[C@H]1CC2=C(CN(C1)CC3=C(C=CC(=C3)C(C)(C(C)(C)C(=O)O)OCC4=CN(N=N4)CC)C)N=CC=C2

DOS

IR

Vibrations