Geometry & MOs

Info

ID:	286248
PubChem CID:	104169952
Reduced:	ON3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	197.152812
ΔH_f, kcal/mol:	-11.69
Dipole, Da:	2.47
IP(EA), eV:	-9.32(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2-methoxypropyl)pyrazol-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(CN1C(=CC=N1)CNC)OC

DOS

IR

Vibrations