Geometry & MOs

Info

ID:	419584
PubChem CID:	135108479
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-24.05
Dipole, Da:	3.83
IP(EA), eV:	-8.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-2-butyl-6-cyclopropyl-4-pyrimidin-2-ylmorpholine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)N)CC(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3

DOS

IR

Vibrations