Geometry & MOs

Info

ID:	420417
PubChem CID:	135113020
Reduced:	F2O2N3C22H31 (1)
Stoich.:	A2B2C3D22E31 (1)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-190.38
Dipole, Da:	4.76
IP(EA), eV:	-9.04(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]-(2-ethylphenyl)methanone

Drug info:

PubChemData

Smile

C1CC(CCC1CN2CC3(CCN(CC3)CC4=CC=CC=N4)OCCC2=O)(F)F

DOS

IR

Vibrations