Geometry & MOs

Info

ID:	422174
PubChem CID:	135117336
Reduced:	FON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	403.247107
ΔH_f, kcal/mol:	-46.19
Dipole, Da:	4.81
IP(EA), eV:	-9.17(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-hydroxy-4-(hydroxymethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)CN(CCO)CC2=CN=CN2C

DOS

IR

Vibrations