Geometry & MOs

Info

ID:	285234
PubChem CID:	104098747
Reduced:	O2N5C15H27 (1)
Stoich.:	A2B5C15D27 (1)
Weight, g/mol:	191.117095
ΔH_f, kcal/mol:	-67.37
Dipole, Da:	3.62
IP(EA), eV:	-9.53(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-pyrrol-3-ylmethyl)-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)CNCCN2C=CN=N2

DOS

IR

Vibrations