Geometry & MOs

Info

ID:	36576
PubChem CID:	8009059
Reduced:	NO2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	274.191937
ΔH_f, kcal/mol:	-63.27
Dipole, Da:	3.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.087921
Charge, e:	1

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)propyl-[(4-methoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[NH2+]C2CCC(CC2)O

DOS

IR

Vibrations