Geometry & MOs

Info

ID:	152288
PubChem CID:	56311187
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-125.51
Dipole, Da:	5.3
IP(EA), eV:	-8.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N(CCC(=O)N)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations