Geometry & MOs

Info

ID:	368034
PubChem CID:	127326630
Reduced:	SO3N5C15H25 (1)
Stoich.:	AB3C5D15E25 (1)
Weight, g/mol:	306.216809
ΔH_f, kcal/mol:	-91.04
Dipole, Da:	7.63
IP(EA), eV:	-9.1(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations