Geometry & MOs

Info

ID:	121894
PubChem CID:	50785793
Reduced:	ClFO2N5C21H25 (1)
Stoich.:	ABC2D5E21F25 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-70.23
Dipole, Da:	4.61
IP(EA), eV:	-8.28(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN=C(C=C2)N3CCOCC3)C(=O)NCC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations