Geometry & MOs

Info

ID:	130763
PubChem CID:	51101967
Reduced:	ON6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	345.064697
ΔH_f, kcal/mol:	61.39
Dipole, Da:	2.93
IP(EA), eV:	-9.03(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(=O)C2CCCN(C2)C3=NC4=NC=CN=C4C=C3

DOS

IR

Vibrations