Geometry & MOs

Info

ID:	369443
PubChem CID:	127333389
Reduced:	FON5C20H28 (1)
Stoich.:	ABC5D20E28 (1)
Weight, g/mol:	365.21147
ΔH_f, kcal/mol:	-43.89
Dipole, Da:	6.75
IP(EA), eV:	-8.74(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C=C(C=C2)NC(=O)N(C)CC3CCCN(C3)C)F)C

DOS

IR

Vibrations