Geometry & MOs

Info

ID:	255501
PubChem CID:	103132533
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	181.157898
ΔH_f, kcal/mol:	-85.07
Dipole, Da:	4.09
IP(EA), eV:	-9.06(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-3-(1-methylpyrazol-3-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC(=C2)Cl)CN

DOS

IR

Vibrations