Geometry & MOs

Info

ID:	57560
PubChem CID:	22407690
Reduced:	NOC2H10 (1)
Stoich.:	ABC2D10 (1)
Weight, g/mol:	180.046967
ΔH_f, kcal/mol:	-32.67
Dipole, Da:	4.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755409
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-1,3-thiazol-2-yl)-N'-prop-2-ynylmethanimidamide

Drug info:

PubChemData

Smile

CC.[NH3+]O

DOS

IR

Vibrations