Geometry & MOs

Info

ID:	417977
PubChem CID:	135103207
Reduced:	O3N6C19H32 (1)
Stoich.:	A3B6C19D32 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-111.47
Dipole, Da:	4.85
IP(EA), eV:	-9.07(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCNCC2)OC[C@@H]1O)NC(=O)C3=CN(N=N3)C4CCC(CC4)N

DOS

IR

Vibrations