Geometry & MOs

Info

ID:	201067
PubChem CID:	79485367
Reduced:	F2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	220.078268
ΔH_f, kcal/mol:	-37.73
Dipole, Da:	2.05
IP(EA), eV:	-8.91(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCNCC1=CN(N=C1C2=C(C=CC=C2F)F)C

DOS

IR

Vibrations