Geometry & MOs

Info

ID:	51471
PubChem CID:	12014148
Reduced:	N2Cl3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	139.110947
ΔH_f, kcal/mol:	32.15
Dipole, Da:	2.83
IP(EA), eV:	-8.88(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)N(C(N2C3=CC=CC=C3)C(Cl)(Cl)Cl)C4=CC=CC=C4

DOS

IR

Vibrations