Geometry & MOs

Info

ID:	151960
PubChem CID:	56310794
Reduced:	N3O5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	416.188212
ΔH_f, kcal/mol:	-81.84
Dipole, Da:	8.09
IP(EA), eV:	-8.47(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCOC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations