Geometry & MOs

Info

ID:	362634
PubChem CID:	127308902
Reduced:	OSN6C16H22 (1)
Stoich.:	ABC6D16E22 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	38.65
Dipole, Da:	3.95
IP(EA), eV:	-8.77(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-phenyloxan-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)N1CCN2C=NN=C2C1)N3CCC4=C(C3)C=CS4

DOS

IR

Vibrations