Geometry & MOs

Info

ID:	439258
PubChem CID:	135229025
Reduced:	FO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	212.225249
ΔH_f, kcal/mol:	-97.17
Dipole, Da:	5.5
IP(EA), eV:	-9.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-propylpentyl)-1,4-diazepane

Drug info:

PubChemData

Smile

C1CC(CCC1O)(C(CC2C3=C(C=CC=C3F)C4=CN=CN24)O)N

DOS

IR

Vibrations