Geometry & MOs

Info

ID:	175496
PubChem CID:	75910911
Reduced:	ON2C21H30 (1)
Stoich.:	AB2C21D30 (1)
Weight, g/mol:	426.243104
ΔH_f, kcal/mol:	-24.89
Dipole, Da:	3.53
IP(EA), eV:	-8.77(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCCN(CC2)C(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations