Geometry & MOs

Info

ID:	243023
PubChem CID:	99215127
Reduced:	ON3C22H33 (1)
Stoich.:	AB3C22D33 (1)
Weight, g/mol:	431.197569
ΔH_f, kcal/mol:	-25.13
Dipole, Da:	3.64
IP(EA), eV:	-8.3(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-methoxy-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CC(=C[C@@H]1[C@H](C1(C)C)C(=O)NC2=CC=CC(=C2)CN3CCN(CC3)C)C

DOS

IR

Vibrations