Geometry & MOs

Info

ID:	185579
PubChem CID:	77315797
Reduced:	N4O5C25H30 (1)
Stoich.:	A4B5C25D30 (1)
Weight, g/mol:	390.19032
ΔH_f, kcal/mol:	-134.41
Dipole, Da:	7.24
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-[(4-methanehydrazonoylbenzoyl)-methylamino]propanoyl]piperidin-4-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)C(=O)NCCC#N)C2C(NNC2C(=O)O)C3=C(C=CC=C3OC)OC

DOS

IR

Vibrations