Geometry & MOs

Info

ID:	415443
PubChem CID:	135088437
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	310.136053
ΔH_f, kcal/mol:	-13.34
Dipole, Da:	6.82
IP(EA), eV:	-8.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2-chloro-6-fluorophenyl)methyl]-N'-(1H-imidazol-5-ylmethyl)-N,N-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)C1=NC2=CC=CC=C2N1CC(=O)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations