Geometry & MOs

Info

ID:	363090
PubChem CID:	127310121
Reduced:	O3N7C17H21 (1)
Stoich.:	A3B7C17D21 (1)
Weight, g/mol:	342.149204
ΔH_f, kcal/mol:	-18.2
Dipole, Da:	6.76
IP(EA), eV:	-9.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-1H-indol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)CN3C=NC4=C(C3=O)C=NN4C

DOS

IR

Vibrations