Geometry & MOs

Info

ID:	354100
PubChem CID:	127286031
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	210.209599
ΔH_f, kcal/mol:	-109.2
Dipole, Da:	5.21
IP(EA), eV:	-8.69(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopentylmethyl)-4-ethyl-1,4-diazepane

Drug info:

PubChemData

Smile

CCN1CCCN(CC1)CC(=O)NC2(CCCC2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations