Geometry & MOs

Info

ID:	261657
PubChem CID:	103244070
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	183.125929
ΔH_f, kcal/mol:	-71.2
Dipole, Da:	4.7
IP(EA), eV:	-8.99(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,2-dimethylcyclopropyl)amino]-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C)NCC1=C(SC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations