Geometry & MOs

Info

ID:	199626
PubChem CID:	79272610
Reduced:	SN3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	248.079707
ΔH_f, kcal/mol:	65.55
Dipole, Da:	3.14
IP(EA), eV:	-8.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-nitrophenyl)methyl-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2N3C4=C(C=NC=C4)NC3=S

DOS

IR

Vibrations