Geometry & MOs

Info

ID:	173404
PubChem CID:	75635380
Reduced:	O2N5C19H36 (1)
Stoich.:	A2B5C19D36 (1)
Weight, g/mol:	327.182101
ΔH_f, kcal/mol:	-119.6
Dipole, Da:	7.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753761
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-N-[(4-methylphenyl)methyl]-5-(3-nitrophenyl)imidazolidin-1-ium-2-amine

Drug info:

PubChemData

Smile

CCC(C)[NH+]1C(C(CC2C1NC3CCC(CN3C2=O)C)C(=O)NCC)N

DOS

IR

Vibrations