Geometry & MOs

Info

ID:	154558
PubChem CID:	56314020
Reduced:	OF2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	421.18017
ΔH_f, kcal/mol:	-83.0
Dipole, Da:	4.11
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F)F

DOS

IR

Vibrations