Geometry & MOs

Info

ID:	198577
PubChem CID:	79120449
Reduced:	OSN3C9H13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	250.190595
ΔH_f, kcal/mol:	5.09
Dipole, Da:	4.2
IP(EA), eV:	-9.12(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(1-cyclopropyltetrazol-5-yl)methyl]-4-N-methylcyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CN(C1CCC(=O)CC1)C2=NN=CS2

DOS

IR

Vibrations