Geometry & MOs

Info

ID:	153306
PubChem CID:	56312486
Reduced:	FO2N3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	389.247855
ΔH_f, kcal/mol:	-106.46
Dipole, Da:	6.01
IP(EA), eV:	-8.78(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CCCNC(=O)C2CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations