Geometry & MOs

Info

ID:	419053
PubChem CID:	135107391
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	347.200905
ΔH_f, kcal/mol:	-90.71
Dipole, Da:	3.08
IP(EA), eV:	-8.35(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-fluoro-6-methylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CN(C)C1C[C@@H]2CC(C[C@@H]2C1)N(C)CC3=CC4=C(C(=C3)OC)OCO4

DOS

IR

Vibrations