Geometry & MOs

Info

ID:	370779
PubChem CID:	127340561
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	376.227454
ΔH_f, kcal/mol:	-16.78
Dipole, Da:	3.8
IP(EA), eV:	-8.77(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCCN(CC3)C4CCCC4

DOS

IR

Vibrations