Geometry & MOs

Info

ID:	157579
PubChem CID:	56435831
Reduced:	O2N3C25H37 (1)
Stoich.:	A2B3C25D37 (1)
Weight, g/mol:	455.25842
ΔH_f, kcal/mol:	-97.37
Dipole, Da:	4.21
IP(EA), eV:	-8.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCCNC(=O)C2CC3CCCCC3N2C(=O)C4=CC=CC=C4

DOS

IR

Vibrations