Geometry & MOs

Info

ID:	320275
PubChem CID:	126659131
Reduced:	N3O3H29C31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	31.34
Dipole, Da:	4.78
IP(EA), eV:	-9.45(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[9-carbamoyl-4-(4-fluorophenyl)-2-methyl-1,3-diazecin-5-yl]pentanoic acid

Drug info:

PubChemData

Smile

C1CN(C[C@H]1C2=CC=CC=C2)C(=O)C3=CC4=CC(=C(N=C4C=C3)C5=CC=CC=C5)CCCCC(=O)N=O

DOS

IR

Vibrations