Geometry & MOs

Info

ID:	153420
PubChem CID:	56312613
Reduced:	ClFON4C22H22 (1)
Stoich.:	ABCD4E22F22 (1)
Weight, g/mol:	351.19582
ΔH_f, kcal/mol:	0.81
Dipole, Da:	3.46
IP(EA), eV:	-8.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]carbamate

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CN(N=C2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4F

DOS

IR

Vibrations