Geometry & MOs

Info

ID:	201044
PubChem CID:	79481037
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	252.231397
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	3.29
IP(EA), eV:	-9.24(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2,5-dimethyl-4-(methylaminomethyl)-N-(2-methylbutyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2=CC=CC=C2)NCCS(=O)(=O)N

DOS

IR

Vibrations