Geometry & MOs

Info

ID:	245606
PubChem CID:	99455586
Reduced:	N3O5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	400.216221
ΔH_f, kcal/mol:	-173.63
Dipole, Da:	7.78
IP(EA), eV:	-8.3(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[(4-fluorophenyl)methoxy]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC[C@@H](C)N4C[C@H](O[C@@H](C4)C)C

DOS

IR

Vibrations