Geometry & MOs

Info

ID:	349657
PubChem CID:	127275809
Reduced:	SO2N4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	374.211804
ΔH_f, kcal/mol:	-41.44
Dipole, Da:	2.37
IP(EA), eV:	-8.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NCC3=CN=C(S3)N4CCOCC4

DOS

IR

Vibrations