Geometry & MOs

Info

ID:	367277
PubChem CID:	127324054
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	371.212139
ΔH_f, kcal/mol:	-122.29
Dipole, Da:	2.83
IP(EA), eV:	-8.96(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]urea

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)NC(C)C3CCCO3)C

DOS

IR

Vibrations