Geometry & MOs

Info

ID:	421727
PubChem CID:	135116507
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	349.215413
ΔH_f, kcal/mol:	-30.06
Dipole, Da:	1.16
IP(EA), eV:	-7.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC=C2OC)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations