Geometry & MOs

Info

ID:	423917
PubChem CID:	135120751
Reduced:	O4N5C21H27 (1)
Stoich.:	A4B5C21D27 (1)
Weight, g/mol:	394.218032
ΔH_f, kcal/mol:	-90.48
Dipole, Da:	5.35
IP(EA), eV:	-9.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(4,4-difluorocyclohexyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2CCN1C(=O)C3=CC(=C(C=C3)OC)OCCN4C=C(CCC(=O)N2)N=N4

DOS

IR

Vibrations