Geometry & MOs

Info

ID:	242963
PubChem CID:	99214536
Reduced:	SO3N5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	486.263091
ΔH_f, kcal/mol:	-7.36
Dipole, Da:	5.79
IP(EA), eV:	-8.14(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

C1CC1CN2CCN(CC2)C3=CC=CC(=C3)NC(=O)CC4=CSC(=N4)NC(=O)C5=CC=CO5

DOS

IR

Vibrations