Geometry & MOs

Info

ID:	49258
PubChem CID:	11532371
Reduced:	O3C29H48 (1)
Stoich.:	A3B29C48 (1)
Weight, g/mol:	444.132859
ΔH_f, kcal/mol:	-192.16
Dipole, Da:	3.68
IP(EA), eV:	-9.37(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-chloropyridin-2-yl)phenyl]-N,N-diethyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine

Drug info:

PubChemData

Smile

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2[C@@]1(CCC3C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)OC)C

DOS

IR

Vibrations