Geometry & MOs

Info

ID:	418803
PubChem CID:	135106828
Reduced:	NOC30H31 (1)
Stoich.:	ABC30D31 (1)
Weight, g/mol:	430.140783
ΔH_f, kcal/mol:	13.82
Dipole, Da:	1.2
IP(EA), eV:	-8.68(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-pyrimidin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)CC3=CC4=C(C=C3)C5C6=CC=CC=C6C4C7=CC=CC=C57)O

DOS

IR

Vibrations