Geometry & MOs

Info

ID:	336201
PubChem CID:	127255208
Reduced:	BrKO2C4H4N4 (1)
Stoich.:	ABC2D4E4F4 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-94.36
Dipole, Da:	6.89
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-[(1-methylbenzimidazol-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C(C(=O)[O-])N1C(=NC(=N1)Br)N.[K+]

DOS

IR

Vibrations