Geometry & MOs

Info

ID:	173833
PubChem CID:	75689480
Reduced:	O2N3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	400.196234
ΔH_f, kcal/mol:	-66.42
Dipole, Da:	4.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755472
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NCC(C)[NH+]3CCCC3)C

DOS

IR

Vibrations