Geometry & MOs

Info

ID:	421808
PubChem CID:	135116649
Reduced:	ON4C24H30 (1)
Stoich.:	AB4C24D30 (1)
Weight, g/mol:	383.145676
ΔH_f, kcal/mol:	11.14
Dipole, Da:	4.76
IP(EA), eV:	-9.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=NC=C2CN3C[C@H]([C@H](C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations