Geometry & MOs

Info

ID:	270241
PubChem CID:	103635589
Reduced:	ClOSN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	255.194677
ΔH_f, kcal/mol:	17.79
Dipole, Da:	2.99
IP(EA), eV:	-9.04(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pentan-1-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CNCCC2=CC=C(S2)Cl)OC)C

DOS

IR

Vibrations