Geometry & MOs

Info

ID:	360019
PubChem CID:	127300239
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	397.18017
ΔH_f, kcal/mol:	-31.55
Dipole, Da:	1.86
IP(EA), eV:	-8.62(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN2CC(CCC2=N1)NC(=O)NC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations