Geometry & MOs

Info

ID:	363114
PubChem CID:	127310147
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	376.110232
ΔH_f, kcal/mol:	-31.49
Dipole, Da:	9.28
IP(EA), eV:	-8.92(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-5-fluoro-1H-indol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)(C)C)C(=O)N2CCOC(C2)CN3C=C(C=N3)C

DOS

IR

Vibrations