Geometry & MOs

Info

ID:	270733
PubChem CID:	103637858
Reduced:	ON2F3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	222.184447
ΔH_f, kcal/mol:	-167.14
Dipole, Da:	3.89
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-N'-ethyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCNCC1=CC=C(C=C1)OC(F)(F)F)C2CC2

DOS

IR

Vibrations