Geometry & MOs

Info

ID:	181495
PubChem CID:	76750951
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-118.83
Dipole, Da:	6.23
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(diaminomethylidene)-4-[1-(2-hydroxy-2-phenylpropanoyl)piperidin-4-yl]-2-methoxy-5-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2CCN(CC2)C(=O)C(C3=CC=CC=C3)O)OC)C(=O)N=C(N)N

DOS

IR

Vibrations