Geometry & MOs

Info

ID:	165586
PubChem CID:	74571392
Reduced:	NO3C14H18 (2)
Stoich.:	AB3C14D18 (2)
Weight, g/mol:	223.192272
ΔH_f, kcal/mol:	-191.67
Dipole, Da:	20.7
IP(EA), eV:	-7.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylazanium

Drug info:

PubChemData

Smile

CC[NH+](CC)CCCN1C(C(=C(C2=C(C=CC(=C2)C)O)[O-])C(=O)C1=O)C3=CC(=C(C=C3)OCC)OC

DOS

IR

Vibrations