Geometry & MOs

Info

ID:	163457
PubChem CID:	57982368
Reduced:	Cl2O3N4C28H28 (1)
Stoich.:	A2B3C4D28E28 (1)
Weight, g/mol:	516.14845
ΔH_f, kcal/mol:	-63.87
Dipole, Da:	2.61
IP(EA), eV:	-8.74(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-aminopyridin-4-yl)methyl]piperidin-4-yl]-[4-(4-bromo-2-nitroanilino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1[C@@H]2CN(C[C@H]2O)C(=O)C3=C(C=C(C=C3)Cl)NC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations