Geometry & MOs

Info

ID:	330571
PubChem CID:	127247978
Reduced:	OF2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-106.96
Dipole, Da:	5.35
IP(EA), eV:	-8.79(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(dimethylcarbamoyl)-4-methyl-1,4-diazepan-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC(C1)C(=O)N(C)C)CC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations