Geometry & MOs

Info

ID:	306110
PubChem CID:	125001660
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	413.210327
ΔH_f, kcal/mol:	-65.32
Dipole, Da:	7.14
IP(EA), eV:	-8.58(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenyloxan-4-yl)-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C=CN=C1CN2CCN(C[C@@H](C2)C(=O)N)C3CCOCC3

DOS

IR

Vibrations