Geometry & MOs

Info

ID:	422950
PubChem CID:	135118669
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-83.8
Dipole, Da:	3.87
IP(EA), eV:	-9.02(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-3-methylpyrazol-1-yl)-1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[C@@H](C(=O)N(CCO)CC2=NC=CN2)N

DOS

IR

Vibrations