Geometry & MOs

Info

ID:	197048
PubChem CID:	78913148
Reduced:	BrN2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	-87.59
Dipole, Da:	3.73
IP(EA), eV:	-8.92(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1H-benzimidazol-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)Br)NCC(=O)NC(C)(C)C

DOS

IR

Vibrations