Geometry & MOs

Info

ID:	286257
PubChem CID:	104169961
Reduced:	ON3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	211.168462
ΔH_f, kcal/mol:	-14.78
Dipole, Da:	1.4
IP(EA), eV:	-8.74(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC1=NN(C=C1)CC(C)OC

DOS

IR

Vibrations