Geometry & MOs

Info

ID:	330495
PubChem CID:	127247902
Reduced:	F2O2N3C16H21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	327.114983
ΔH_f, kcal/mol:	-161.99
Dipole, Da:	7.89
IP(EA), eV:	-9.21(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorobenzoyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)CC2=CC(=C(C=C2)F)F)C

DOS

IR

Vibrations