Geometry & MOs

Info

ID:	155329
PubChem CID:	56352918
Reduced:	O3N4C24H32 (1)
Stoich.:	A3B4C24D32 (1)
Weight, g/mol:	486.203383
ΔH_f, kcal/mol:	-76.12
Dipole, Da:	3.07
IP(EA), eV:	-8.28(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)N3CCC(CC3)CCN4CCOCC4

DOS

IR

Vibrations