Geometry & MOs

Info

ID:	285320
PubChem CID:	104099026
Reduced:	SN6C11H14 (1)
Stoich.:	AB6C11D14 (1)
Weight, g/mol:	205.132746
ΔH_f, kcal/mol:	115.49
Dipole, Da:	4.13
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrrol-3-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(N2C=CSC2=N1)CNCCN3C=CN=N3

DOS

IR

Vibrations