Geometry & MOs

Info

ID:	152737
PubChem CID:	56311796
Reduced:	F2O2N3C22H27 (1)
Stoich.:	A2B2C3D22E27 (1)
Weight, g/mol:	426.243104
ΔH_f, kcal/mol:	-128.74
Dipole, Da:	5.3
IP(EA), eV:	-8.9(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NCCOC2=CC=C(C=C2)F)CC3=CC=CC=C3F

DOS

IR

Vibrations