Geometry & MOs

Info

ID:	152575
PubChem CID:	56311541
Reduced:	BrFON4C21H22 (1)
Stoich.:	ABCD4E21F22 (1)
Weight, g/mol:	433.212533
ΔH_f, kcal/mol:	19.01
Dipole, Da:	3.87
IP(EA), eV:	-8.89(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=NN=C(O2)C3=CC(=CC=C3)Br)CC4=CC=CC=C4F

DOS

IR

Vibrations