Geometry & MOs

Info

ID:	371609
PubChem CID:	131269093
Reduced:	N4O5C14H22 (1)
Stoich.:	A4B5C14D22 (1)
Weight, g/mol:	233.113982
ΔH_f, kcal/mol:	-202.61
Dipole, Da:	7.47
IP(EA), eV:	-9.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CC(C[C@H]1O)C2=NC(=NN2)C(=O)O

DOS

IR

Vibrations