Geometry & MOs

Info

ID:	368592
PubChem CID:	127329601
Reduced:	FON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	211.193614
ΔH_f, kcal/mol:	-38.58
Dipole, Da:	7.79
IP(EA), eV:	-8.72(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-(oxolan-3-ylmethyl)azepane

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N2CCCC(C2=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations