Geometry & MOs

Info

ID:	205249
PubChem CID:	80075893
Reduced:	NOCl2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-62.32
Dipole, Da:	2.11
IP(EA), eV:	-8.89(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethyl-5-methylpyrazol-3-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine

Drug info:

PubChemData

Smile

CC(CC1=C(C=C(C=C1)Cl)Cl)C(C)NCCOC

DOS

IR

Vibrations