Geometry & MOs

Info

ID:	331815
PubChem CID:	127250099
Reduced:	O2N4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	-16.5
Dipole, Da:	6.67
IP(EA), eV:	-9.06(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=NC(=CC=C2)C3CN(CCO3)C(=O)C4=NNC5=C4CCCCCC5

DOS

IR

Vibrations