Geometry & MOs

Info

ID:	261737
PubChem CID:	103248293
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	-62.33
Dipole, Da:	2.53
IP(EA), eV:	-9.1(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-2-(hexan-2-ylamino)acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CNC/C=C(/C)\C(=O)O

DOS

IR

Vibrations