Geometry & MOs

Info

ID:	336431
PubChem CID:	127255438
Reduced:	OSF5H7C10 (1)
Stoich.:	ABC5D7E10 (1)
Weight, g/mol:	123.043262
ΔH_f, kcal/mol:	-275.88
Dipole, Da:	3.08
IP(EA), eV:	-9.95(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-1,2-oxazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)SC(C(F)(F)F)(F)F

DOS

IR

Vibrations