Geometry & MOs

Info

ID:	285113
PubChem CID:	104098250
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	221.189198
ΔH_f, kcal/mol:	-5.04
Dipole, Da:	6.57
IP(EA), eV:	-9.38(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCCCCC1NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations