Geometry & MOs

Info

ID:	188262
PubChem CID:	77690961
Reduced:	ON5C12H23 (1)
Stoich.:	AB5C12D23 (1)
Weight, g/mol:	454.16508
ΔH_f, kcal/mol:	-29.4
Dipole, Da:	3.82
IP(EA), eV:	-8.3(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[C-[2-amino-2-[[1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]-methylamino]ethenyl]-N-methylcarbonimidoyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC(=NC)C=C(N)N(C)C1CCCNC1

DOS

IR

Vibrations