Geometry & MOs

Info

ID:	126303
PubChem CID:	50959064
Reduced:	ClSO3N4C15H15 (1)
Stoich.:	ABC3D4E15F15 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-86.05
Dipole, Da:	7.96
IP(EA), eV:	-9.14(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)Cl)C(=O)NCCC(=O)NC2=NC=CS2

DOS

IR

Vibrations