Geometry & MOs

Info

ID:	286247
PubChem CID:	104169951
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	183.137162
ΔH_f, kcal/mol:	-53.77
Dipole, Da:	1.66
IP(EA), eV:	-8.29(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1C=CC2=C1C=C(C=C2)CNCCOC)OC

DOS

IR

Vibrations