Geometry & MOs

Info

ID:	266577
PubChem CID:	103572471
Reduced:	BrClN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	304.172168
ΔH_f, kcal/mol:	46.89
Dipole, Da:	2.14
IP(EA), eV:	-9.32(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C2=NC(=C(C(=N2)Cl)Br)CC(C)C

DOS

IR

Vibrations