Geometry & MOs

Info

ID:	270709
PubChem CID:	103637784
Reduced:	FSN3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	222.184447
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	2.06
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-N'-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)NCCC(C)SC)F

DOS

IR

Vibrations