Geometry & MOs

Info

ID:	371090
PubChem CID:	127342492
Reduced:	O2N6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-14.73
Dipole, Da:	9.99
IP(EA), eV:	-9.22(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(C)NC(=O)N2CCC(CC2)C3=NN=CN3C

DOS

IR

Vibrations