Geometry & MOs

Info

ID:	363116
PubChem CID:	127310149
Reduced:	SO4N6C16H24 (1)
Stoich.:	AB4C6D16E24 (1)
Weight, g/mol:	372.196154
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	11.03
IP(EA), eV:	-9.0(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-4-pyrrolidin-1-ylphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)CNS(=O)(=O)C3=CN(C(=N3)C)C

DOS

IR

Vibrations