Geometry & MOs

Info

ID:	292549
PubChem CID:	115354422
Reduced:	BrN3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	305.165876
ΔH_f, kcal/mol:	63.57
Dipole, Da:	1.68
IP(EA), eV:	-9.32(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CCC(C1)N=C(C2=CC3=C(C=C2)C=C(C=C3)Br)NN

DOS

IR

Vibrations