Geometry & MOs

Info

ID:	58422
PubChem CID:	24699633
Reduced:	SN3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	203.058243
ΔH_f, kcal/mol:	24.48
Dipole, Da:	7.52
IP(EA), eV:	-8.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(prop-2-ynoylamino)methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CNC1=NC=C(C=C1)C(=S)N

DOS

IR

Vibrations