Geometry & MOs

Info

ID:	153079
PubChem CID:	56312209
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-65.58
Dipole, Da:	5.73
IP(EA), eV:	-8.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCN(CC2)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations