Geometry & MOs

Info

ID:	59712
PubChem CID:	24894666
Reduced:	INO3C21H30 (1)
Stoich.:	ABC3D21E30 (1)
Weight, g/mol:	291.173548
ΔH_f, kcal/mol:	-112.18
Dipole, Da:	12.88
IP(EA), eV:	-7.43(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-imidazol-2-ylmethyl)-3-phenyl-N-propan-2-ylaniline

Drug info:

PubChemData

Smile

C[N+]1(CC2CC[C@@H]1C2OC(=O)[C@@](C3CCCC3)(C4=CC=CC=C4)O)C.[I-]

DOS

IR

Vibrations