Geometry & MOs

Info

ID:	423768
PubChem CID:	135120175
Reduced:	FO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	359.257277
ΔH_f, kcal/mol:	-81.36
Dipole, Da:	2.81
IP(EA), eV:	-9.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC(=C(C=C4)F)OC

DOS

IR

Vibrations