Geometry & MOs

Info

ID:	416363
PubChem CID:	135089376
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-1.79
Dipole, Da:	3.59
IP(EA), eV:	-9.48(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4-phenylpyrimidin-5-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)CC3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations