Geometry & MOs

Info

ID:	205968
PubChem CID:	80185084
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-131.0
Dipole, Da:	9.13
IP(EA), eV:	-9.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-methoxy-3-methylbutanoyl)-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(=O)NCCC2=CC=C(C=C2)C(=O)O)C

DOS

IR

Vibrations