Geometry & MOs

Info

ID:	185320
PubChem CID:	77285091
Reduced:	N2F3O3C25H29 (1)
Stoich.:	A2B3C3D25E29 (1)
Weight, g/mol:	426.259503
ΔH_f, kcal/mol:	-272.24
Dipole, Da:	4.93
IP(EA), eV:	-9.68(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]butane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CC2(O1)CCN(CC2)C(=O)O)C3=CC=CC(=C3)C4=NC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations