Geometry & MOs

Info

ID:	418643
PubChem CID:	135106494
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	405.27399
ΔH_f, kcal/mol:	15.11
Dipole, Da:	6.05
IP(EA), eV:	-9.25(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,3-dimethylpyrazol-4-yl)methyl]-11-(2-morpholin-4-ylethyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)NCCN2C(=O)C=CC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations