Geometry & MOs

Info

ID:	198499
PubChem CID:	79109510
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	261.195346
ΔH_f, kcal/mol:	-76.56
Dipole, Da:	6.93
IP(EA), eV:	-8.86(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]butan-1-amine

Drug info:

PubChemData

Smile

CCCC(C1=CN(C=C1)CC(=O)N2CCN(CC2)C)O

DOS

IR

Vibrations