Geometry & MOs

Info

ID:	448532
PubChem CID:	135291652
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	429.335528
ΔH_f, kcal/mol:	-152.7
Dipole, Da:	5.61
IP(EA), eV:	-9.64(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-(3-cyclopropyl-1-propan-2-ylpyrazolidin-4-yl)propan-2-yloxymethyl]-4-(4-propan-2-ylphenyl)morpholine

Drug info:

PubChemData

Smile

CCOC1CCN(CC1C)C(=O)CO

DOS

IR

Vibrations