Geometry & MOs

Info

ID:	261620
PubChem CID:	103242376
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	-103.5
Dipole, Da:	6.13
IP(EA), eV:	-9.18(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-methylpentylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

CC(CC1=CC=CO1)NC/C(=C/C(=O)O)/C

DOS

IR

Vibrations