Geometry & MOs

Info

ID:	202287
PubChem CID:	79652068
Reduced:	ON2C6H12 (2)
Stoich.:	AB2C6D12 (2)
Weight, g/mol:	274.190595
ΔH_f, kcal/mol:	-89.33
Dipole, Da:	2.08
IP(EA), eV:	-8.91(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',2,2-trimethyl-N'-[(1-phenyltetrazol-5-yl)methyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(CN)CN(C)CC(=O)NC(=O)NCC=C

DOS

IR

Vibrations