Geometry & MOs

Info

ID:	88696
PubChem CID:	49956117
Reduced:	ClNO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	361.111253
ΔH_f, kcal/mol:	-57.11
Dipole, Da:	1.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.905642
Charge, e:	-2

Chem-info

IUPAC name:

3-imidazol-1-yl-N-[(4-phenylphenyl)methyl]propan-1-amine;dichloride

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CC=C(C=C1)OCC2=CC3=C(C=C2)OCCO3.[Cl-]

DOS

IR

Vibrations