Geometry & MOs

Info

ID:	286256
PubChem CID:	104169960
Reduced:	ON3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	197.152812
ΔH_f, kcal/mol:	-12.41
Dipole, Da:	2.67
IP(EA), eV:	-8.95(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxypropyl)pyrazol-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations