Geometry & MOs

Info

ID:	249136
PubChem CID:	103087101
Reduced:	N7C10H17 (1)
Stoich.:	A7B10C17 (1)
Weight, g/mol:	249.170194
ΔH_f, kcal/mol:	102.26
Dipole, Da:	7.05
IP(EA), eV:	-9.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(1,3-dimethylpyrazol-4-yl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1C2=CN(N=C2C)C

DOS

IR

Vibrations