Geometry & MOs

Info

ID:	261348
PubChem CID:	103227500
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	245.12949
ΔH_f, kcal/mol:	-7.73
Dipole, Da:	4.88
IP(EA), eV:	-8.52(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloropyrazol-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C=N2)C(CNC)COC

DOS

IR

Vibrations