Geometry & MOs

Info

ID:	370805
PubChem CID:	127340620
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	356.20124
ΔH_f, kcal/mol:	-47.54
Dipole, Da:	8.59
IP(EA), eV:	-8.44(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C2C1=C(NN2C)C)CCC(=O)N3CCCN(CC3)C4CCCC4

DOS

IR

Vibrations