Geometry & MOs

Info

ID:	59870
PubChem CID:	24900753
Reduced:	BrNO3C20H30 (1)
Stoich.:	ABC3D20E30 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-100.7
Dipole, Da:	21.37
IP(EA), eV:	-6.44(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]benzamide

Drug info:

PubChemData

Smile

CC(C)[N+]1([C@@H]2CC[C@@H]1CC(C2)OC(=O)C(C[O-])C3=CC=CC=C3)C.Br

DOS

IR

Vibrations