Geometry & MOs

Info

ID:	419532
PubChem CID:	135108352
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-82.82
Dipole, Da:	3.73
IP(EA), eV:	-8.99(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N,5-trimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC=C(C=C4)N(C)S(=O)(=O)C

DOS

IR

Vibrations