Geometry & MOs

Info

ID:	370916
PubChem CID:	127341314
Reduced:	N2C13H26 (1)
Stoich.:	A2B13C26 (1)
Weight, g/mol:	290.221895
ΔH_f, kcal/mol:	-20.33
Dipole, Da:	1.05
IP(EA), eV:	-8.4(2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CCCN1CCCN(CC1)C2CCCC2

DOS

IR

Vibrations