Geometry & MOs

Info

ID:	305567
PubChem CID:	124960326
Reduced:	N5C14H19 (1)
Stoich.:	A5B14C19 (1)
Weight, g/mol:	439.294725
ΔH_f, kcal/mol:	74.24
Dipole, Da:	4.45
IP(EA), eV:	-8.49(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4S)-9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-ethylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C2=NC=CN=C2[C@H]3CCCN(C3)C

DOS

IR

Vibrations