Geometry & MOs

Info

ID:	292242
PubChem CID:	114540749
Reduced:	ClON3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	275.236148
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	6.46
IP(EA), eV:	-8.84(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]propan-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=CC(=C1)C(=O)NC2CCC(C2)(C)C)Cl

DOS

IR

Vibrations