Geometry & MOs

Info

ID:	152071
PubChem CID:	56310923
Reduced:	O2N3C12H15 (2)
Stoich.:	A2B3C12D15 (2)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-75.7
Dipole, Da:	6.32
IP(EA), eV:	-8.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCN(CC2)C3=C(N=C(O3)C)C#N)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations