Geometry & MOs

Info

ID:	421371
PubChem CID:	135115884
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	333.17625
ΔH_f, kcal/mol:	-30.76
Dipole, Da:	2.32
IP(EA), eV:	-9.21(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations