Geometry & MOs

Info

ID:	285331
PubChem CID:	104099083
Reduced:	N4C15H28 (1)
Stoich.:	A4B15C28 (1)
Weight, g/mol:	220.143645
ΔH_f, kcal/mol:	15.24
Dipole, Da:	4.99
IP(EA), eV:	-9.39(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCC(CC1)NCCN2C=CN=N2

DOS

IR

Vibrations