Geometry & MOs

Info

ID:	213255
PubChem CID:	81063272
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-163.28
Dipole, Da:	4.82
IP(EA), eV:	-9.77(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN=C1C)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations